2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid

C13H16ClNO2 — CID 117244167

IUPAC2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
SMILESO=C(O)C(CNC1CCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-7-2-1-6-10(12)11(13(16)17)8-15-9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8H2,(H,16,17)
InChIKeyDUWWFPKMSAEZPF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds5

About 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid

2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid (PubChem CID 117244167) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
PubChem CID117244167
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid
SMILESO=C(O)C(CNC1CCC1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-7-2-1-6-10(12)11(13(16)17)8-15-9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8H2,(H,16,17)
InChIKeyDUWWFPKMSAEZPF-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
2-(5-chlorofuran-2-yl)-3-(cyclobutylamino)propanoic acid
CID 117240781
3-benzamido-2-(2-chlorophenyl)propanoic acid
CID 170945297
3-(cyclobutylamino)-2-(3-hydroxyphenyl)propanoic acid
CID 117243215
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
(2S)-2-(2-chlorophenyl)-4-(methylamino)-4-oxobutanoic acid
CID 94687943
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
CID 63501762

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid (CID 117244167) is 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid is O=C(O)C(CNC1CCC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid?
The InChIKey is DUWWFPKMSAEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-7-2-1-6-10(12)11(13(16)17)8-15-9-4-3-5-9/h1-2,6-7,9,11,15H,3-5,8H2,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid?
2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid has a molecular weight of 253.73 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(cyclobutylamino)propanoic acid is sourced from PubChem (CID 117244167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).