2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid

C13H18N2O3 — CID 22603328

IUPAC2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
SMILESCCNc1ccccc1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-3-14-11-7-5-4-6-10(11)8-12(13(17)18)15-9(2)16/h4-7,12,14H,3,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHOAAWIDHUFGYKR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.25
Rot. Bonds6

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

2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid (PubChem CID 22603328) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
PubChem CID22603328
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
SMILESCCNc1ccccc1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-3-14-11-7-5-4-6-10(11)8-12(13(17)18)15-9(2)16/h4-7,12,14H,3,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHOAAWIDHUFGYKR-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(2-iodophenyl)propanoic acid
CID 90399104
2-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79976736
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193
2-acetamido-3-anthracen-9-ylpropanoic acid
CID 54846693
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
2-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504316
2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 54846837
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875
2-acetamido-3-[(2-chlorophenyl)methylsulfanyl]propanoic acid
CID 53462760
2-acetamido-4-(2-acetamidophenyl)-4-oxobutanoic acid
CID 71434928

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid (CID 22603328) is 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid is CCNc1ccccc1CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid?
The InChIKey is HOAAWIDHUFGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-11-7-5-4-6-10(11)8-12(13(17)18)15-9(2)16/h4-7,12,14H,3,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid?
2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid is sourced from PubChem (CID 22603328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).