1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid

C16H27NO3 — CID 120530397

IUPAC1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)C1CCC(CC(=O)NC2(C(=O)O)CC2)CC1
InChIInChI=1S/C16H27NO3/c1-15(2,3)12-6-4-11(5-7-12)10-13(18)17-16(8-9-16)14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWWIMULJVRKOPGT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.96
Rot. Bonds4

About 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 120530397) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID120530397
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)C1CCC(CC(=O)NC2(C(=O)O)CC2)CC1
InChIInChI=1S/C16H27NO3/c1-15(2,3)12-6-4-11(5-7-12)10-13(18)17-16(8-9-16)14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyWWIMULJVRKOPGT-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64609550
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 54373494

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid (CID 120530397) is 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid is CC(C)(C)C1CCC(CC(=O)NC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is WWIMULJVRKOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2,3)12-6-4-11(5-7-12)10-13(18)17-16(8-9-16)14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-tert-butylcyclohexyl)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).