4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid

C8H13NO3 — CID 43264711

IUPAC4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)CCC(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-9(6-2-3-6)7(10)4-5-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyHCBKCQCOBTYBCZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds4

About 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid

4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid (PubChem CID 43264711) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
PubChem CID43264711
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
SMILESCN(C(=O)CCC(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-9(6-2-3-6)7(10)4-5-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyHCBKCQCOBTYBCZ-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[cyclopropyl(methyl)amino]-4-oxobutanoic 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

4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
4-[(4-ethylcyclohexyl)-methylamino]-4-oxobutanoic acid
CID 54907859
4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 43578327
N-cyclopropyl-4-hydroxy-N-methylbutanamide
CID 79203211
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
5-chloro-N-cyclopropyl-N-methylpentanamide
CID 43264877
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 60953422
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
N-cyclopropyl-N-methyl-4-(methylamino)butanamide
CID 60842400
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid (CID 43264711) is 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid is CN(C(=O)CCC(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid?
The InChIKey is HCBKCQCOBTYBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-9(6-2-3-6)7(10)4-5-8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid?
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43264711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).