4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid

C13H24N2O4 — CID 61409902

IUPAC4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCCC1CO
InChIInChI=1S/C13H24N2O4/c1-10(2)14(7-4-6-12(17)18)13(19)15-8-3-5-11(15)9-16/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyJBCNCCNMGAGBMX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.14
Rot. Bonds6

About 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid

4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid (PubChem CID 61409902) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
PubChem CID61409902
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCCC1CO
InChIInChI=1S/C13H24N2O4/c1-10(2)14(7-4-6-12(17)18)13(19)15-8-3-5-11(15)9-16/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyJBCNCCNMGAGBMX-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]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-[(2-methylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 61208618
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61407553
3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62212214
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid
CID 63770540
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189767
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid (CID 61409902) is 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N1CCCC1CO.
What is the InChIKey of 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
The InChIKey is JBCNCCNMGAGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)14(7-4-6-12(17)18)13(19)15-8-3-5-11(15)9-16/h10-11,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid?
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61409902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).