3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid

C10H18N2O4 — CID 103157063

IUPAC3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
SMILESCOC(CNC(=O)[C@@H]1CCCN1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-7(5-9(13)14)6-12-10(15)8-3-2-4-11-8/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,14)/t7?,8-/m0/s1
InChIKeyQZVZKFCGXUKWBX-MQWKRIRWSA-N
MW230.26 g/mol
LogP-0.66
Rot. Bonds6

About 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid

3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid (PubChem CID 103157063) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
PubChem CID103157063
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
SMILESCOC(CNC(=O)[C@@H]1CCCN1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-16-7(5-9(13)14)6-12-10(15)8-3-2-4-11-8/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,14)/t7?,8-/m0/s1
InChIKeyQZVZKFCGXUKWBX-MQWKRIRWSA-N
XLogP-0.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid 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

3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methoxybutanoic acid
CID 103157085
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid (CID 103157063) is 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid is COC(CNC(=O)[C@@H]1CCCN1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid?
The InChIKey is QZVZKFCGXUKWBX-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-7(5-9(13)14)6-12-10(15)8-3-2-4-11-8/h7-8,11H,2-6H2,1H3,(H,12,15)(H,13,14)/t7?,8-/m0/s1.
What are the key properties of 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid?
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 103157063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).