4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid

C19H27NO3 — CID 120546889

IUPAC4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCCCC1
InChIInChI=1S/C19H27NO3/c21-18(14-16-9-5-2-6-10-16)20-17(11-12-19(22)23)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,21)(H,22,23)
InChIKeyPSCYZOJELRJTSE-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.55
Rot. Bonds8

About 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid

4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid (PubChem CID 120546889) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
PubChem CID120546889
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCCCC1
InChIInChI=1S/C19H27NO3/c21-18(14-16-9-5-2-6-10-16)20-17(11-12-19(22)23)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,21)(H,22,23)
InChIKeyPSCYZOJELRJTSE-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 120546751
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid (CID 120546889) is 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCCCC1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid?
The InChIKey is PSCYZOJELRJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-18(14-16-9-5-2-6-10-16)20-17(11-12-19(22)23)13-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,20,21)(H,22,23).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid?
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid has a molecular weight of 317.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).