3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid

C15H22N2O3 — CID 107273577

IUPAC3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
SMILESCCNCC(C)C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-16-10-11(2)15(20)17-13-7-5-4-6-12(13)8-9-14(18)19/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFXEMBRRLZGUOHW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.89
Rot. Bonds8

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

3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid (PubChem CID 107273577) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
PubChem CID107273577
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
SMILESCCNCC(C)C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-16-10-11(2)15(20)17-13-7-5-4-6-12(13)8-9-14(18)19/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFXEMBRRLZGUOHW-UHFFFAOYSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62853226
3-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]propanoic acid
CID 107273592
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273983
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
CID 107274126
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybenzoic acid
CID 107265225
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid (CID 107273577) is 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid is CCNCC(C)C(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid?
The InChIKey is FXEMBRRLZGUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16-10-11(2)15(20)17-13-7-5-4-6-12(13)8-9-14(18)19/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid?
3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 107273577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).