2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid

C14H20N2O3 — CID 106899650

IUPAC2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid
SMILESCCc1ccc(CNCC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-11-4-6-12(7-5-11)8-15-9-13(14(18)19)16-10(2)17/h4-7,13,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGPADUHABVVSOIS-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.93
Rot. Bonds7

About 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid

2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid (PubChem CID 106899650) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid
PubChem CID106899650
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid
SMILESCCc1ccc(CNCC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-11-4-6-12(7-5-11)8-15-9-13(14(18)19)16-10(2)17/h4-7,13,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGPADUHABVVSOIS-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568
2-acetamido-3-[2-(4-nitrophenyl)ethylamino]propanoic acid
CID 64581270
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid
CID 106900448
2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoic acid
CID 106036805
2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 106900478
(2S)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 59611140
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
(2R)-3-(benzylamino)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 91872599
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid (CID 106899650) is 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid is CCc1ccc(CNCC(NC(C)=O)C(=O)O)cc1.
What is the InChIKey of 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid?
The InChIKey is GPADUHABVVSOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-11-4-6-12(7-5-11)8-15-9-13(14(18)19)16-10(2)17/h4-7,13,15H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid?
2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 106899650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).