2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid

C9H14N2O4 — CID 60864450

IUPAC2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H14N2O4/c10-7(12)2-1-3-11-8(13)5-4-6(5)9(14)15/h5-6H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)
InChIKeyNPRVWCUMDPOPMM-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.91
Rot. Bonds6

About 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60864450) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60864450
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H14N2O4/c10-7(12)2-1-3-11-8(13)5-4-6(5)9(14)15/h5-6H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)
InChIKeyNPRVWCUMDPOPMM-UHFFFAOYSA-N
XLogP-0.91
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxypentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106120324
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
CID 165351929
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
trans-(1R,2R)-2-(4-methylsulfanylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 99716413
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
(1R,6R)-6-[(3-amino-3-oxopropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93241610
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61171060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60864450) is 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid is NC(=O)CCCNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is NPRVWCUMDPOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c10-7(12)2-1-3-11-8(13)5-4-6(5)9(14)15/h5-6H,1-4H2,(H2,10,12)(H,11,13)(H,14,15).
What are the key properties of 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-oxobutyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60864450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).