(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid

C16H20ClNO4 — CID 58473863

IUPAC(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(Cl)c1)C(=O)O)OC1CCCCC1
InChIInChI=1S/C16H20ClNO4/c17-12-6-4-5-11(9-12)10-14(15(19)20)18-16(21)22-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyUJORRHAUIFUXOX-CQSZACIVSA-N
MW325.79 g/mol
LogP3.39
Rot. Bonds5

About (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid

(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid (PubChem CID 58473863) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid
PubChem CID58473863
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(Cl)c1)C(=O)O)OC1CCCCC1
InChIInChI=1S/C16H20ClNO4/c17-12-6-4-5-11(9-12)10-14(15(19)20)18-16(21)22-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyUJORRHAUIFUXOX-CQSZACIVSA-N
XLogP3.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309203
(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid
CID 156884176
(2S)-3-(3-chlorophenyl)-2-(fluoroamino)propanoic acid
CID 174451213
methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
CID 70875789
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
3-(3-chlorophenyl)-2-(pent-4-enoylamino)propanoic acid
CID 146471456
(2R)-3-(3-chlorophenyl)-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoic acid
CID 91616065
cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
CID 67052665
methyl (2S)-3-(3-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 46900288
benzyl N-[(2S)-3-(3-chlorophenyl)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 155550140
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3-cyclohexylpropanoic acid
CID 156884066
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid (CID 58473863) is (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid is O=C(N[C@H](Cc1cccc(Cl)c1)C(=O)O)OC1CCCCC1.
What is the InChIKey of (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid?
The InChIKey is UJORRHAUIFUXOX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20ClNO4/c17-12-6-4-5-11(9-12)10-14(15(19)20)18-16(21)22-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid?
(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid has a molecular weight of 325.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid is sourced from PubChem (CID 58473863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).