2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid

C15H25NO3 — CID 119170208

IUPAC2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-9(2)13(15(18)19)16-14(17)12-8-11(12)10-6-4-3-5-7-10/h9-13H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIUDDOGGUBOMQSU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds5

About 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid

2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid (PubChem CID 119170208) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
PubChem CID119170208
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-9(2)13(15(18)19)16-14(17)12-8-11(12)10-6-4-3-5-7-10/h9-13H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIUDDOGGUBOMQSU-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 145466562
(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid
CID 120692482
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
cis-(1S,2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106344045
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid (CID 119170208) is 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)C1CC1C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The InChIKey is IUDDOGGUBOMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(2)13(15(18)19)16-14(17)12-8-11(12)10-6-4-3-5-7-10/h9-13H,3-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.43, 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]-3-methylbutanoic acid is sourced from PubChem (CID 119170208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).