4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid

C11H19NO3 — CID 119352836

IUPAC4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC(C)C1(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)11(5-6-11)10(15)12-7-3-4-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYTOFWSVHIAFVAY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds6

About 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid

4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 119352836) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID119352836
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC(C)C1(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8(2)11(5-6-11)10(15)12-7-3-4-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYTOFWSVHIAFVAY-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(1-propan-2-ylcyclopropanecarbonyl)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

N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 156820596
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-ethyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 3016622
2-[[1-[(1R)-1-hydroxyethyl]cyclopropanecarbonyl]amino]acetic acid
CID 145435288
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
CID 120513465
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid (CID 119352836) is 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid is CC(C)C1(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is YTOFWSVHIAFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)11(5-6-11)10(15)12-7-3-4-9(13)14/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid?
4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 119352836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).