3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid

C15H18ClNO3 — CID 45431108

IUPAC3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-7-5-10(6-8-12)13(9-14(18)19)17-15(20)11-3-1-2-4-11/h5-8,11,13H,1-4,9H2,(H,17,20)(H,18,19)
InChIKeyYCRGMCPGPSSINN-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.16
Rot. Bonds5

About 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid

3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid (PubChem CID 45431108) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
PubChem CID45431108
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-7-5-10(6-8-12)13(9-14(18)19)17-15(20)11-3-1-2-4-11/h5-8,11,13H,1-4,9H2,(H,17,20)(H,18,19)
InChIKeyYCRGMCPGPSSINN-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoic acid
CID 718076
(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
CID 6926645
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
3-(4-chlorophenyl)-3-[[4-(2-hydroxypropan-2-yl)cyclohexanecarbonyl]amino]propanoic acid
CID 167769900
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
CID 8022396
3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
3-(cyclohexanecarbonylamino)-3-(2-fluorophenyl)propanoic acid
CID 166313098
methyl (3R)-3-(4-chlorophenyl)-3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]propanoate
CID 30794184
(3S)-3-(4-chloro-3-fluorophenyl)-3-[[(3S)-oxane-3-carbonyl]amino]propanoic acid
CID 124700631
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid (CID 45431108) is 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid is O=C(O)CC(NC(=O)C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid?
The InChIKey is YCRGMCPGPSSINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-7-5-10(6-8-12)13(9-14(18)19)17-15(20)11-3-1-2-4-11/h5-8,11,13H,1-4,9H2,(H,17,20)(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid?
3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid has a molecular weight of 295.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid is sourced from PubChem (CID 45431108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).