(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate

C16H19ClNO3- — CID 6926645

IUPAC(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
SMILESO=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,18,21)(H,19,20)/p-1/t14-/m1/s1
InChIKeyUUIRWZNSLSACOU-CQSZACIVSA-M
MW308.78 g/mol
LogP2.22
Rot. Bonds5

About (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate

(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate (PubChem CID 6926645) has the molecular formula C16H19ClNO3- and a molecular weight of 308.78 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
PubChem CID6926645
Molecular FormulaC16H19ClNO3-
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
SMILESO=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,18,21)(H,19,20)/p-1/t14-/m1/s1
InChIKeyUUIRWZNSLSACOU-CQSZACIVSA-M
XLogP2.22
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoic acid
CID 718076
3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
CID 45431108
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
CID 7310460
3-(4-chlorophenyl)-3-[[4-(2-hydroxypropan-2-yl)cyclohexanecarbonyl]amino]propanoic acid
CID 167769900
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
methyl (3R)-3-(4-chlorophenyl)-3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]propanoate
CID 30794184
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
N-[(1S)-1-(4-chlorophenyl)ethyl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 158533764

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate (CID 6926645) is (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate is O=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate?
The InChIKey is UUIRWZNSLSACOU-CQSZACIVSA-M. The full InChI is InChI=1S/C16H20ClNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,18,21)(H,19,20)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate?
(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate has a molecular weight of 308.78 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 6926645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).