2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid

C17H29NO3 — CID 43341292

IUPAC2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCCCCC1CCC(C(=O)NC(C)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C17H29NO3/c1-3-4-5-12-6-8-13(9-7-12)15(19)18-17(2,16(20)21)14-10-11-14/h12-14H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDIPXPMWWMRXAFP-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.35
Rot. Bonds7

About 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid

2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 43341292) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
PubChem CID43341292
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
SMILESCCCCC1CCC(C(=O)NC(C)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C17H29NO3/c1-3-4-5-12-6-8-13(9-7-12)15(19)18-17(2,16(20)21)14-10-11-14/h12-14H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDIPXPMWWMRXAFP-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 61162345
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butyl-N-[1-(hydroxymethyl)cyclobutyl]cyclohexane-1-carboxamide
CID 115878057
1-(4-butylcyclohexyl)-2-cyclopentylethanone
CID 114969263
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
2,3-bis(4-pentylcyclohexyl)butane-1,2,3,4-tetracarboxylic acid
CID 139878399
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid (CID 43341292) is 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid is CCCCC1CCC(C(=O)NC(C)(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is DIPXPMWWMRXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-3-4-5-12-6-8-13(9-7-12)15(19)18-17(2,16(20)21)14-10-11-14/h12-14H,3-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid?
2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 295.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43341292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).