4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid

C16H22ClNO2 — CID 82350551

IUPAC4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
SMILESO=C(O)CC(Cc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H22ClNO2/c17-13-8-6-12(7-9-13)10-15(11-16(19)20)18-14-4-2-1-3-5-14/h6-9,14-15,18H,1-5,10-11H2,(H,19,20)
InChIKeyCUPBXHVISVUWOI-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid

4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid (PubChem CID 82350551) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
PubChem CID82350551
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
SMILESO=C(O)CC(Cc1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C16H22ClNO2/c17-13-8-6-12(7-9-13)10-15(11-16(19)20)18-14-4-2-1-3-5-14/h6-9,14-15,18H,1-5,10-11H2,(H,19,20)
InChIKeyCUPBXHVISVUWOI-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
CID 82351006
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
methyl 3-(cycloheptylamino)-4-phenylbutanoate
CID 82351188
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545
3-(cyclohexylamino)-4-(2,5-dimethylphenyl)butanoic acid
CID 82351068
(3R)-3-(benzylamino)-4-(4-chlorophenyl)butanoic acid
CID 69226473
4-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 167728511
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
3-(4-chlorophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418786
(3S)-4-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 53341193
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid?
The IUPAC name of 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid (CID 82350551) is 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid?
The canonical SMILES for 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid is O=C(O)CC(Cc1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid?
The InChIKey is CUPBXHVISVUWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-13-8-6-12(7-9-13)10-15(11-16(19)20)18-14-4-2-1-3-5-14/h6-9,14-15,18H,1-5,10-11H2,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid?
4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid has a molecular weight of 295.81 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid is sourced from PubChem (CID 82350551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).