2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid

C16H23NO4 — CID 119198001

IUPAC2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
SMILESCCOc1ccc(CCC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-21-14-8-5-13(6-9-14)7-10-15(18)17(12(2)3)11-16(19)20/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20)
InChIKeySTNUJLLDNAPXHE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds8

About 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid

2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid (PubChem CID 119198001) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
PubChem CID119198001
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
SMILESCCOc1ccc(CCC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-4-21-14-8-5-13(6-9-14)7-10-15(18)17(12(2)3)11-16(19)20/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20)
InChIKeySTNUJLLDNAPXHE-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic 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

2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]-propan-2-ylamino]acetic acid
CID 120580964
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
2-[4-(4-methylsulfonylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 119198017
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
N-(2-amino-2-oxoethyl)-3-(4-aminophenyl)-N-propan-2-ylpropanamide
CID 54980107
3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid (CID 119198001) is 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid is CCOc1ccc(CCC(=O)N(CC(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid?
The InChIKey is STNUJLLDNAPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-21-14-8-5-13(6-9-14)7-10-15(18)17(12(2)3)11-16(19)20/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid?
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).