(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid

C20H23NO3 — CID 121414201

IUPAC(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14/h4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyRZRHQCIBEAHPCH-GOSISDBHSA-N
MW325.41 g/mol
LogP3.99
Rot. Bonds5

About (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid

(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid (PubChem CID 121414201) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
PubChem CID121414201
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14/h4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,21,22)(H,23,24)/t18-/m1/s1
InChIKeyRZRHQCIBEAHPCH-GOSISDBHSA-N
XLogP3.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-cyclohexyl-2-[[3-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoic acid
CID 66912825
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
(2S)-3-cyclohexyl-2-[[3-[2-(3-methylquinoxalin-2-yl)oxyethoxy]benzoyl]amino]propanoic acid
CID 66912894
N-(dicyclopropylmethyl)naphthalene-2-carboxamide
CID 18146384
[(1R)-1-[[(2S)-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropyl]boronic acid
CID 145107276
(2S)-N-(4-amino-4-oxo-1-phenylbutan-2-yl)-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxamide
CID 145422619
tert-butyl (3S,3aS,6aR)-2-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 121428645
carbanide;cobalt(3+);(2R)-3-cyclohexyl-2-[(7-methanidyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 156883927
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
(2S,4R)-N-(3-amino-2-hydroxy-3-oxopropyl)-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 145422493
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid (CID 121414201) is (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid is O=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid?
The InChIKey is RZRHQCIBEAHPCH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14/h4-5,8-11,13-14,18H,1-3,6-7,12H2,(H,21,22)(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid?
(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 121414201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).