2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid

C14H18N2O5 — CID 107434703

IUPAC2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1ccccc1CCC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-11-5-3-2-4-10(11)6-7-13(18)16(8-12(15)17)9-14(19)20/h2-5H,6-9H2,1H3,(H2,15,17)(H,19,20)
InChIKeyVBRKGQYZTQQYOC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.03
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid (PubChem CID 107434703) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid
PubChem CID107434703
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1ccccc1CCC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-11-5-3-2-4-10(11)6-7-13(18)16(8-12(15)17)9-14(19)20/h2-5H,6-9H2,1H3,(H2,15,17)(H,19,20)
InChIKeyVBRKGQYZTQQYOC-UHFFFAOYSA-N
XLogP0.03
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
CID 107433700
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-[(2-amino-2-oxoethyl)-(3-methoxypropanoyl)amino]acetic acid
CID 107433829
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
sodium 3-(2-methoxyphenyl)propanoate
CID 141006192
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789556
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106262023

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid (CID 107434703) is 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid is COc1ccccc1CCC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid?
The InChIKey is VBRKGQYZTQQYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-11-5-3-2-4-10(11)6-7-13(18)16(8-12(15)17)9-14(19)20/h2-5H,6-9H2,1H3,(H2,15,17)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[3-(2-methoxyphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 107434703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).