(4S)-4-amino-4-cyclopropylbutanoic acid

C7H13NO2 — CID 55291872

IUPAC(4S)-4-amino-4-cyclopropylbutanoic acid
SMILESN[C@@H](CCC(=O)O)C1CC1
InChIInChI=1S/C7H13NO2/c8-6(5-1-2-5)3-4-7(9)10/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
InChIKeyZPPBFKPBMSVGQA-LURJTMIESA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds4

About (4S)-4-amino-4-cyclopropylbutanoic acid

(4S)-4-amino-4-cyclopropylbutanoic acid (PubChem CID 55291872) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4S)-4-amino-4-cyclopropylbutanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-4-cyclopropylbutanoic acid
PubChem CID55291872
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4S)-4-amino-4-cyclopropylbutanoic acid
SMILESN[C@@H](CCC(=O)O)C1CC1
InChIInChI=1S/C7H13NO2/c8-6(5-1-2-5)3-4-7(9)10/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
InChIKeyZPPBFKPBMSVGQA-LURJTMIESA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-4-amino-4-cyclopropylbutanoic 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

(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
5-[(3-amino-3-cyclopropylpropanoyl)amino]-4-methylpentanoic acid
CID 82689472
4-amino-5-hydroxypentanoic acid
CID 162240530
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
4,4-dicyclohexylbutanoic acid
CID 19041232
6,6-dicyclopropylhexanoic acid
CID 10607937
4,4-dicyclopropylbutanoic acid;ethyl 4,4-dicyclopropylbutanoate
CID 158390010
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-cyclopropylbutanoic acid?
The IUPAC name of (4S)-4-amino-4-cyclopropylbutanoic acid (CID 55291872) is (4S)-4-amino-4-cyclopropylbutanoic acid.
What is the SMILES notation for (4S)-4-amino-4-cyclopropylbutanoic acid?
The canonical SMILES for (4S)-4-amino-4-cyclopropylbutanoic acid is N[C@@H](CCC(=O)O)C1CC1.
What is the InChIKey of (4S)-4-amino-4-cyclopropylbutanoic acid?
The InChIKey is ZPPBFKPBMSVGQA-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c8-6(5-1-2-5)3-4-7(9)10/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-4-cyclopropylbutanoic acid?
(4S)-4-amino-4-cyclopropylbutanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-cyclopropylbutanoic acid is sourced from PubChem (CID 55291872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).