3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid

C16H27NO3 — CID 82326104

IUPAC3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)CC1CCCCC1)C1CCCC1
InChIInChI=1S/C16H27NO3/c18-15(12-13-6-2-1-3-7-13)17(11-10-16(19)20)14-8-4-5-9-14/h13-14H,1-12H2,(H,19,20)
InChIKeyQUFQROHMXLRWKD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds6

About 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid

3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid (PubChem CID 82326104) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
PubChem CID82326104
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)CC1CCCCC1)C1CCCC1
InChIInChI=1S/C16H27NO3/c18-15(12-13-6-2-1-3-7-13)17(11-10-16(19)20)14-8-4-5-9-14/h13-14H,1-12H2,(H,19,20)
InChIKeyQUFQROHMXLRWKD-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclopentylacetyl)-(oxan-4-yl)amino]propanoic acid
CID 119212280
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
3-[cyclopropyl-[2-(thian-4-yl)acetyl]amino]propanoic acid
CID 83145481
3-[(2-cycloheptylacetyl)-methylamino]propanoic acid
CID 115736297
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
4-[2-carboxyethyl-(2-cyclohexylacetyl)amino]butanoic acid
CID 82326113
3-[[2-[(1S,3R)-3-methylcyclohexyl]acetyl]-(oxan-4-yl)amino]propanoic acid
CID 124694142
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid?
The IUPAC name of 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid (CID 82326104) is 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid.
What is the SMILES notation for 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid?
The canonical SMILES for 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid is O=C(O)CCN(C(=O)CC1CCCCC1)C1CCCC1.
What is the InChIKey of 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid?
The InChIKey is QUFQROHMXLRWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(12-13-6-2-1-3-7-13)17(11-10-16(19)20)14-8-4-5-9-14/h13-14H,1-12H2,(H,19,20).
What are the key properties of 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid?
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid is sourced from PubChem (CID 82326104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).