methyl (2S)-2-(aminomethyl)butanoate

C6H13NO2 — CID 55280920

IUPACmethyl (2S)-2-(aminomethyl)butanoate
SMILESCC[C@@H](CN)C(=O)OC
InChIInChI=1S/C6H13NO2/c1-3-5(4-7)6(8)9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyOITQFQBCFPRRFS-YFKPBYRVSA-N
MW131.18 g/mol
LogP0.14
Rot. Bonds3

About methyl (2S)-2-(aminomethyl)butanoate

methyl (2S)-2-(aminomethyl)butanoate (PubChem CID 55280920) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl (2S)-2-(aminomethyl)butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(aminomethyl)butanoate
PubChem CID55280920
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl (2S)-2-(aminomethyl)butanoate
SMILESCC[C@@H](CN)C(=O)OC
InChIInChI=1S/C6H13NO2/c1-3-5(4-7)6(8)9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyOITQFQBCFPRRFS-YFKPBYRVSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-(aminomethyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10486829
CID 10486829
CID 11018900
CID 11018900
CID 50988199
CID 50988199
CID 14039786
CID 14039786
CID 13063725
CID 13063725
CID 14435432
CID 14435432
CID 21464884
CID 21464884
CID 65220536
CID 65220536
CID 71332524
CID 71332524
CID 76045592
CID 76045592
CID 86749859
CID 86749859
CID 87219478
CID 87219478

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(aminomethyl)butanoate?
The IUPAC name of methyl (2S)-2-(aminomethyl)butanoate (CID 55280920) is methyl (2S)-2-(aminomethyl)butanoate.
What is the SMILES notation for methyl (2S)-2-(aminomethyl)butanoate?
The canonical SMILES for methyl (2S)-2-(aminomethyl)butanoate is CC[C@@H](CN)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(aminomethyl)butanoate?
The InChIKey is OITQFQBCFPRRFS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(4-7)6(8)9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-(aminomethyl)butanoate?
methyl (2S)-2-(aminomethyl)butanoate has a molecular weight of 131.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(aminomethyl)butanoate is sourced from PubChem (CID 55280920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).