2-[3-(2-methoxyphenyl)propanoylamino]acetic acid

C12H15NO4 — CID 43091942

IUPAC2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
SMILESCOc1ccccc1CCC(=O)NCC(=O)O
InChIInChI=1S/C12H15NO4/c1-17-10-5-3-2-4-9(10)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZUVFARIOCWHFSU-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.83
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid

2-[3-(2-methoxyphenyl)propanoylamino]acetic acid (PubChem CID 43091942) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
PubChem CID43091942
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
SMILESCOc1ccccc1CCC(=O)NCC(=O)O
InChIInChI=1S/C12H15NO4/c1-17-10-5-3-2-4-9(10)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZUVFARIOCWHFSU-UHFFFAOYSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid
CID 82043100
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
CID 81066007
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid (CID 43091942) is 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid is COc1ccccc1CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid?
The InChIKey is ZUVFARIOCWHFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-10-5-3-2-4-9(10)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid?
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 43091942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).