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

C11H14ClNO2 — CID 43753632

IUPAC2-(3-chlorophenyl)-2-(methylamino)butanoic acid
SMILESCCC(NC)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-11(13-2,10(14)15)8-5-4-6-9(12)7-8/h4-7,13H,3H2,1-2H3,(H,14,15)
InChIKeyOPYOUMZTFFXZBT-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.25
Rot. Bonds4

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

2-(3-chlorophenyl)-2-(methylamino)butanoic acid (PubChem CID 43753632) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(methylamino)butanoic acid
PubChem CID43753632
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-(3-chlorophenyl)-2-(methylamino)butanoic acid
SMILESCCC(NC)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-11(13-2,10(14)15)8-5-4-6-9(12)7-8/h4-7,13H,3H2,1-2H3,(H,14,15)
InChIKeyOPYOUMZTFFXZBT-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
CID 61024537
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
2-(3-chloroanilino)-2-(4-methylphenyl)butanoic acid
CID 60991671
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
ethyl 2-(3-chlorophenyl)-2-(prop-2-ynylamino)butanoate
CID 62364965
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid
CID 21387795

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(methylamino)butanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(methylamino)butanoic acid (CID 43753632) is 2-(3-chlorophenyl)-2-(methylamino)butanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(methylamino)butanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(methylamino)butanoic acid is CCC(NC)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(methylamino)butanoic acid?
The InChIKey is OPYOUMZTFFXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-11(13-2,10(14)15)8-5-4-6-9(12)7-8/h4-7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-chlorophenyl)-2-(methylamino)butanoic acid?
2-(3-chlorophenyl)-2-(methylamino)butanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 43753632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).