2-amino-2-(3-chlorophenyl)butanoic acid

C10H12ClNO2 — CID 24690469

IUPAC2-amino-2-(3-chlorophenyl)butanoic acid
SMILESCCC(N)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-2-10(12,9(13)14)7-4-3-5-8(11)6-7/h3-6H,2,12H2,1H3,(H,13,14)
InChIKeyPSTBLRIBNXXEBS-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-2-(3-chlorophenyl)butanoic acid

2-amino-2-(3-chlorophenyl)butanoic acid (PubChem CID 24690469) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-2-(3-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-chlorophenyl)butanoic acid
PubChem CID24690469
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-2-(3-chlorophenyl)butanoic acid
SMILESCCC(N)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-2-10(12,9(13)14)7-4-3-5-8(11)6-7/h3-6H,2,12H2,1H3,(H,13,14)
InChIKeyPSTBLRIBNXXEBS-UHFFFAOYSA-N
XLogP1.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
2-amino-2-(3-methylphenyl)butanoic acid
CID 83698226
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
2-[acetyl(propyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63701379
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 55232397
3-(3-chlorophenyl)-3-fluoropentanamide
CID 68878178

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chlorophenyl)butanoic acid?
The IUPAC name of 2-amino-2-(3-chlorophenyl)butanoic acid (CID 24690469) is 2-amino-2-(3-chlorophenyl)butanoic acid.
What is the SMILES notation for 2-amino-2-(3-chlorophenyl)butanoic acid?
The canonical SMILES for 2-amino-2-(3-chlorophenyl)butanoic acid is CCC(N)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chlorophenyl)butanoic acid?
The InChIKey is PSTBLRIBNXXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-10(12,9(13)14)7-4-3-5-8(11)6-7/h3-6H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(3-chlorophenyl)butanoic acid?
2-amino-2-(3-chlorophenyl)butanoic acid has a molecular weight of 213.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chlorophenyl)butanoic acid is sourced from PubChem (CID 24690469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).