(2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid

C19H27NO3 — CID 58700147

IUPAC(2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid
SMILESCc1cccc(C(=O)N[C@@H](CCCC2CCCCC2)C(=O)O)c1
InChIInChI=1S/C19H27NO3/c1-14-7-5-11-16(13-14)18(21)20-17(19(22)23)12-6-10-15-8-3-2-4-9-15/h5,7,11,13,15,17H,2-4,6,8-10,12H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyVZSWJPVHIOBHSL-KRWDZBQOSA-N
MW317.43 g/mol
LogP3.93
Rot. Bonds7

About (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid

(2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid (PubChem CID 58700147) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid
PubChem CID58700147
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid
SMILESCc1cccc(C(=O)N[C@@H](CCCC2CCCCC2)C(=O)O)c1
InChIInChI=1S/C19H27NO3/c1-14-7-5-11-16(13-14)18(21)20-17(19(22)23)12-6-10-15-8-3-2-4-9-15/h5,7,11,13,15,17H,2-4,6,8-10,12H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyVZSWJPVHIOBHSL-KRWDZBQOSA-N
XLogP3.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
3-methyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]benzamide
CID 4231231
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
N-cyclooctyl-3-methylbenzamide
CID 966011
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
CID 121414201
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983

Frequently Asked Questions

What is the IUPAC name of (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid (CID 58700147) is (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid is Cc1cccc(C(=O)N[C@@H](CCCC2CCCCC2)C(=O)O)c1.
What is the InChIKey of (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid?
The InChIKey is VZSWJPVHIOBHSL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-7-5-11-16(13-14)18(21)20-17(19(22)23)12-6-10-15-8-3-2-4-9-15/h5,7,11,13,15,17H,2-4,6,8-10,12H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid?
(2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid has a molecular weight of 317.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-cyclohexyl-2-[(3-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 58700147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).