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

C11H14ClNO2 — CID 64665989

IUPAC3-amino-3-(3-chlorophenyl)pentanoic acid
SMILESCCC(N)(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-11(13,7-10(14)15)8-4-3-5-9(12)6-8/h3-6H,2,7,13H2,1H3,(H,14,15)
InChIKeyPBHPUNLXSRBHBV-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.38
Rot. Bonds4

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

3-amino-3-(3-chlorophenyl)pentanoic acid (PubChem CID 64665989) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-amino-3-(3-chlorophenyl)pentanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-chlorophenyl)pentanoic acid
PubChem CID64665989
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-amino-3-(3-chlorophenyl)pentanoic acid
SMILESCCC(N)(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-11(13,7-10(14)15)8-4-3-5-9(12)6-8/h3-6H,2,7,13H2,1H3,(H,14,15)
InChIKeyPBHPUNLXSRBHBV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
3-amino-3-(4-aminophenyl)pentanoic acid
CID 57255399
3-(3-chlorophenyl)-3-fluoropentanamide
CID 68878178
3-amino-3-(4-bromophenyl)pentanoic acid
CID 64664733
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
3-(3-chlorophenyl)-3-cyano-4-methylpentanoic acid
CID 117059933
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chlorophenyl)pentanoic acid?
The IUPAC name of 3-amino-3-(3-chlorophenyl)pentanoic acid (CID 64665989) is 3-amino-3-(3-chlorophenyl)pentanoic acid.
What is the SMILES notation for 3-amino-3-(3-chlorophenyl)pentanoic acid?
The canonical SMILES for 3-amino-3-(3-chlorophenyl)pentanoic acid is CCC(N)(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 3-amino-3-(3-chlorophenyl)pentanoic acid?
The InChIKey is PBHPUNLXSRBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-11(13,7-10(14)15)8-4-3-5-9(12)6-8/h3-6H,2,7,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(3-chlorophenyl)pentanoic acid?
3-amino-3-(3-chlorophenyl)pentanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chlorophenyl)pentanoic acid is sourced from PubChem (CID 64665989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).