methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate

C10H18N2O3 — CID 102778052

IUPACmethyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1NCCC1C
InChIInChI=1S/C10H18N2O3/c1-6-4-5-11-8(6)9(13)12-7(2)10(14)15-3/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6?,7-,8?/m0/s1
InChIKeyKISAGUBDTJAFKJ-WTIBDHCWSA-N
MW214.26 g/mol
LogP-0.34
Rot. Bonds3

About methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate

methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate (PubChem CID 102778052) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
PubChem CID102778052
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1NCCC1C
InChIInChI=1S/C10H18N2O3/c1-6-4-5-11-8(6)9(13)12-7(2)10(14)15-3/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6?,7-,8?/m0/s1
InChIKeyKISAGUBDTJAFKJ-WTIBDHCWSA-N
XLogP-0.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate 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

N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 62340143
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
2-[(3-methylpyrrolidine-2-carbonyl)amino]butanedioic acid
CID 102779851
methyl (2S)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)propanoate
CID 102891196
3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102777521
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 102779216
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
CID 65049268

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate (CID 102778052) is methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)C1NCCC1C.
What is the InChIKey of methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate?
The InChIKey is KISAGUBDTJAFKJ-WTIBDHCWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-4-5-11-8(6)9(13)12-7(2)10(14)15-3/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6?,7-,8?/m0/s1.
What are the key properties of methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate?
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 102778052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).