3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid

C11H20N2O3 — CID 81073110

IUPAC3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
SMILESCC(CNC(=O)CC1CCCN1)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(5-11(15)16)7-13-10(14)6-9-3-2-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyJIHIKLHXVYLUGC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds6

About 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid

3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid (PubChem CID 81073110) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
PubChem CID81073110
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
SMILESCC(CNC(=O)CC1CCCN1)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(5-11(15)16)7-13-10(14)6-9-3-2-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyJIHIKLHXVYLUGC-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)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

2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 77233359
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 67154447
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(2-methyl-3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119750679
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
CID 119842297
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid (CID 81073110) is 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid is CC(CNC(=O)CC1CCCN1)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid?
The InChIKey is JIHIKLHXVYLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(5-11(15)16)7-13-10(14)6-9-3-2-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid?
3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 81073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).