2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid

C13H17N3O5 — CID 107438314

IUPAC2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
SMILESCOCc1ccccc1NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H17N3O5/c1-21-8-9-4-2-3-5-10(9)15-13(20)16(6-11(14)17)7-12(18)19/h2-5H,6-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyGPAXBBLGYPXFTA-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.24
Rot. Bonds7

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

2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid (PubChem CID 107438314) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
PubChem CID107438314
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
SMILESCOCc1ccccc1NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H17N3O5/c1-21-8-9-4-2-3-5-10(9)15-13(20)16(6-11(14)17)7-12(18)19/h2-5H,6-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyGPAXBBLGYPXFTA-UHFFFAOYSA-N
XLogP0.24
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 62536518
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
CID 107439466
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 106760414
(2S)-2-amino-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 104897233
2-[(2-amino-2-oxoethyl)-[(2-cyano-3-fluorophenyl)carbamoyl]amino]acetic acid
CID 107438042
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-[(2-amino-2-oxoethyl)-[(2,3,4-trifluorophenyl)carbamoyl]amino]acetic acid
CID 107437408
2-[(2-amino-2-oxoethyl)-[(2-bromo-5-methylphenyl)carbamoyl]amino]acetic acid
CID 107439128

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid (CID 107438314) is 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid is COCc1ccccc1NC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid?
The InChIKey is GPAXBBLGYPXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-8-9-4-2-3-5-10(9)15-13(20)16(6-11(14)17)7-12(18)19/h2-5H,6-8H2,1H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).