4-amino-3-(4-chlorophenyl)hexanoic acid

C12H16ClNO2 — CID 66099214

IUPAC4-amino-3-(4-chlorophenyl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-11(14)10(7-12(15)16)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7,14H2,1H3,(H,15,16)
InChIKeyABXGPIRTHKUSIF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-3-(4-chlorophenyl)hexanoic acid

4-amino-3-(4-chlorophenyl)hexanoic acid (PubChem CID 66099214) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)hexanoic acid
PubChem CID66099214
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-amino-3-(4-chlorophenyl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-11(14)10(7-12(15)16)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7,14H2,1H3,(H,15,16)
InChIKeyABXGPIRTHKUSIF-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(4-methylphenyl)hexanoic acid
CID 66097527
4-amino-3-(4-ethylphenyl)hexanoic acid
CID 66096909
4-amino-3-(4-propoxyphenyl)hexanoic acid
CID 66096290
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
2-[(1S)-1-(4-chlorophenyl)propyl]propanedioic acid
CID 902051
2-[1-(4-chlorophenyl)propyl]propanedioic acid
CID 3442135
3-amino-4-(4-chlorophenyl)-4-cyanobutanoic acid
CID 170872427
4-amino-3-(3-chloro-2-fluorophenyl)hexanoic acid
CID 114489142
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
CID 10827030
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
3-(4-chlorobenzoyl)pentanoic acid
CID 174540259
3-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid
CID 12834926

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)hexanoic acid?
The IUPAC name of 4-amino-3-(4-chlorophenyl)hexanoic acid (CID 66099214) is 4-amino-3-(4-chlorophenyl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)hexanoic acid?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)hexanoic acid is CCC(N)C(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)hexanoic acid?
The InChIKey is ABXGPIRTHKUSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-11(14)10(7-12(15)16)8-3-5-9(13)6-4-8/h3-6,10-11H,2,7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-(4-chlorophenyl)hexanoic acid?
4-amino-3-(4-chlorophenyl)hexanoic acid has a molecular weight of 241.72 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)hexanoic acid is sourced from PubChem (CID 66099214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).