2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid

C12H15N3O4 — CID 62536518

IUPAC2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
SMILESCN(CC(N)=O)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H15N3O4/c1-15(7-10(13)16)12(19)14-9-5-3-2-4-8(9)6-11(17)18/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyPMLAHFRYZPTZOM-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.26
Rot. Bonds5

About 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid

2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid (PubChem CID 62536518) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
PubChem CID62536518
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
SMILESCN(CC(N)=O)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H15N3O4/c1-15(7-10(13)16)12(19)14-9-5-3-2-4-8(9)6-11(17)18/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyPMLAHFRYZPTZOM-UHFFFAOYSA-N
XLogP0.26
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
CID 107438314
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273983
2-[2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51080423
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]phenyl]acetic acid
CID 62536880
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid (CID 62536518) is 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid is CN(CC(N)=O)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid?
The InChIKey is PMLAHFRYZPTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15(7-10(13)16)12(19)14-9-5-3-2-4-8(9)6-11(17)18/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid?
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 62536518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).