2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid

C12H16N2O4 — CID 81088004

IUPAC2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
SMILESCOCC(N)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-7-9(13)12(17)14-10-5-3-2-4-8(10)6-11(15)16/h2-5,9H,6-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyKYNDIUYABMAMCO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.23
Rot. Bonds6

About 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid

2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid (PubChem CID 81088004) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
PubChem CID81088004
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
SMILESCOCC(N)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-18-7-9(13)12(17)14-10-5-3-2-4-8(10)6-11(15)16/h2-5,9H,6-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyKYNDIUYABMAMCO-UHFFFAOYSA-N
XLogP0.23
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119218365
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid (CID 81088004) is 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid is COCC(N)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid?
The InChIKey is KYNDIUYABMAMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-7-9(13)12(17)14-10-5-3-2-4-8(10)6-11(15)16/h2-5,9H,6-7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid?
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 81088004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).