2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid

C14H23NO3 — CID 119223837

IUPAC2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-12(14(17)18)15-13(16)11-8-10(11)9-6-4-3-5-7-9/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOUCJWASXQMHCDB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid

2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 119223837) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID119223837
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-12(14(17)18)15-13(16)11-8-10(11)9-6-4-3-5-7-9/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOUCJWASXQMHCDB-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid
CID 120692482
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
CID 120702696
2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 112700765
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 145466562

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid (CID 119223837) is 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid is CCC(NC(=O)C1CC1C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is OUCJWASXQMHCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-12(14(17)18)15-13(16)11-8-10(11)9-6-4-3-5-7-9/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid?
2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 119223837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).