2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid

C7H12N2O5 — CID 43135721

IUPAC2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
SMILESCOC(=O)CNC(=O)N(C)CC(=O)O
InChIInChI=1S/C7H12N2O5/c1-9(4-5(10)11)7(13)8-3-6(12)14-2/h3-4H2,1-2H3,(H,8,13)(H,10,11)
InChIKeyYESTUMJXCWCCLR-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.11
Rot. Bonds4

About 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid

2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid (PubChem CID 43135721) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
PubChem CID43135721
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
SMILESCOC(=O)CNC(=O)N(C)CC(=O)O
InChIInChI=1S/C7H12N2O5/c1-9(4-5(10)11)7(13)8-3-6(12)14-2/h3-4H2,1-2H3,(H,8,13)(H,10,11)
InChIKeyYESTUMJXCWCCLR-UHFFFAOYSA-N
XLogP-1.11
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[4-hydroxy-N-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]acetic acid
CID 61181285
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate
CID 86113020
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81072974

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid (CID 43135721) is 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid is COC(=O)CNC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid?
The InChIKey is YESTUMJXCWCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-9(4-5(10)11)7(13)8-3-6(12)14-2/h3-4H2,1-2H3,(H,8,13)(H,10,11).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid?
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid has a molecular weight of 204.18 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid is sourced from PubChem (CID 43135721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).