2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid

C13H17ClN2O3 — CID 64583466

IUPAC2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
SMILESCC(=O)NC(CNC(C)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-8(10-4-3-5-11(14)6-10)15-7-12(13(18)19)16-9(2)17/h3-6,8,12,15H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIMAKMKPCAQCQEY-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.58
Rot. Bonds6

About 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid

2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid (PubChem CID 64583466) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
PubChem CID64583466
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid
SMILESCC(=O)NC(CNC(C)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-8(10-4-3-5-11(14)6-10)15-7-12(13(18)19)16-9(2)17/h3-6,8,12,15H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIMAKMKPCAQCQEY-UHFFFAOYSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propanoic acid
CID 81372439
2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
CID 81365356
2-acetamido-3-(3-chloroanilino)propanoic acid
CID 64581658
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
2-acetamido-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81410723
2-acetamido-3-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoic acid
CID 81359901
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
(2S)-2-[1-(3-chlorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566512
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
(2R)-4-amino-2-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826878
(2S)-4-amino-2-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718308

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid?
The IUPAC name of 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid (CID 64583466) is 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid is CC(=O)NC(CNC(C)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid?
The InChIKey is IMAKMKPCAQCQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(10-4-3-5-11(14)6-10)15-7-12(13(18)19)16-9(2)17/h3-6,8,12,15H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid?
2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid has a molecular weight of 284.74 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[1-(3-chlorophenyl)ethylamino]propanoic acid is sourced from PubChem (CID 64583466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).