2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid

C11H15ClN2O2 — CID 64582443

IUPAC2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c12-9-3-1-8(2-4-9)5-6-14-7-10(13)11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)
InChIKeyHVHWEFMOXZPCGK-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid

2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid (PubChem CID 64582443) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
PubChem CID64582443
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid
SMILESNC(CNCCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c12-9-3-1-8(2-4-9)5-6-14-7-10(13)11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)
InChIKeyHVHWEFMOXZPCGK-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
2-amino-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115240814
2-amino-3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 115240823
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
methyl 2-[[2-(4-chlorophenyl)ethylamino]methyl]butanoate
CID 115253212
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid (CID 64582443) is 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid is NC(CNCCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid?
The InChIKey is HVHWEFMOXZPCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-3-1-8(2-4-9)5-6-14-7-10(13)11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16).
What are the key properties of 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid?
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid has a molecular weight of 242.71 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(4-chlorophenyl)ethylamino]propanoic acid is sourced from PubChem (CID 64582443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).