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

C11H14ClNO2 — CID 67215699

IUPAC3-(3-amino-4-chlorophenyl)pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H14ClNO2/c1-2-7(6-11(14)15)8-3-4-9(12)10(13)5-8/h3-5,7H,2,6,13H2,1H3,(H,14,15)
InChIKeyYPDNUSUDJMUAPR-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.89
Rot. Bonds4

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

3-(3-amino-4-chlorophenyl)pentanoic acid (PubChem CID 67215699) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-(3-amino-4-chlorophenyl)pentanoic acid.

Molecular Properties

Compound Name3-(3-amino-4-chlorophenyl)pentanoic acid
PubChem CID67215699
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-(3-amino-4-chlorophenyl)pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C11H14ClNO2/c1-2-7(6-11(14)15)8-3-4-9(12)10(13)5-8/h3-5,7H,2,6,13H2,1H3,(H,14,15)
InChIKeyYPDNUSUDJMUAPR-UHFFFAOYSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-chlorophenyl)hexanoic acid
CID 67216299
(2S)-3-(3-amino-4-chlorophenyl)-2-methylpentanoic acid
CID 67215463
(3S)-3-(3-amino-4-chlorophenyl)-4,4,4-trifluorobutanoic acid
CID 90150629
(3S)-3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoic acid;hydrochloride
CID 142599841
5-(1-aminopropyl)-2-chloroaniline
CID 67750170
3-[4-hydroxy-3-(hydroxymethyl)phenyl]pentanoic acid
CID 83949673
ethane;3-phenylpentanoic acid
CID 142147200
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
CID 83958259
(3S)-3-(4-cyanophenyl)pentanoic acid
CID 46932273
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-chlorophenyl)pentanoic acid?
The IUPAC name of 3-(3-amino-4-chlorophenyl)pentanoic acid (CID 67215699) is 3-(3-amino-4-chlorophenyl)pentanoic acid.
What is the SMILES notation for 3-(3-amino-4-chlorophenyl)pentanoic acid?
The canonical SMILES for 3-(3-amino-4-chlorophenyl)pentanoic acid is CCC(CC(=O)O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-(3-amino-4-chlorophenyl)pentanoic acid?
The InChIKey is YPDNUSUDJMUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-7(6-11(14)15)8-3-4-9(12)10(13)5-8/h3-5,7H,2,6,13H2,1H3,(H,14,15).
What are the key properties of 3-(3-amino-4-chlorophenyl)pentanoic acid?
3-(3-amino-4-chlorophenyl)pentanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-chlorophenyl)pentanoic acid is sourced from PubChem (CID 67215699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).