3-[cyclopropyl(hexanoyl)amino]propanoic acid

C12H21NO3 — CID 60843685

IUPAC3-[cyclopropyl(hexanoyl)amino]propanoic acid
SMILESCCCCCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-11(14)13(10-6-7-10)9-8-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyMJYYVUPDCZMDOL-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.03
Rot. Bonds8

About 3-[cyclopropyl(hexanoyl)amino]propanoic acid

3-[cyclopropyl(hexanoyl)amino]propanoic acid (PubChem CID 60843685) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[cyclopropyl(hexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(hexanoyl)amino]propanoic acid
PubChem CID60843685
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[cyclopropyl(hexanoyl)amino]propanoic acid
SMILESCCCCCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-11(14)13(10-6-7-10)9-8-12(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyMJYYVUPDCZMDOL-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(nonanoyl)amino]acetic acid
CID 54945844
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(hexanoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(hexanoyl)amino]propanoic acid (CID 60843685) is 3-[cyclopropyl(hexanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(hexanoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(hexanoyl)amino]propanoic acid is CCCCCC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(hexanoyl)amino]propanoic acid?
The InChIKey is MJYYVUPDCZMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-4-5-11(14)13(10-6-7-10)9-8-12(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopropyl(hexanoyl)amino]propanoic acid?
3-[cyclopropyl(hexanoyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(hexanoyl)amino]propanoic acid is sourced from PubChem (CID 60843685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).