SMB
Summary
Name: | 2-METHYLBUTANOIC ACID |
Formula: | C5 H10 O2 |
Formal charge: | 0 |
Formula weight: | 102.132 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-2-methylbutanoic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-2-methylbutanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(C)CC |
InChI | InChI | 1.03 | InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | WLAMNBDJUVNPJU-BYPYZUCNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)C(O)=O |
SMILES | CACTVS | 3.385 | CC[CH](C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC[C@H](C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.5 | CCC(C)C(=O)O |