2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid

C6H11N3O4 — CID 43466011

IUPAC2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)NC(=O)CNCC(=O)O
InChIInChI=1S/C6H11N3O4/c1-7-6(13)9-4(10)2-8-3-5(11)12/h8H,2-3H2,1H3,(H,11,12)(H2,7,9,10,13)
InChIKeyOEZYACSNGYODDY-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.88
Rot. Bonds4

About 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid

2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43466011) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43466011
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
SMILESCNC(=O)NC(=O)CNCC(=O)O
InChIInChI=1S/C6H11N3O4/c1-7-6(13)9-4(10)2-8-3-5(11)12/h8H,2-3H2,1H3,(H,11,12)(H2,7,9,10,13)
InChIKeyOEZYACSNGYODDY-UHFFFAOYSA-N
XLogP-1.88
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Glycylglycylglycine
CID 11161
2-(2,5-Dioxoimidazolidin-1-yl)acetic acid
CID 2512552
N-Acetylglycylglycine
CID 97591
2-(2,4-Dioxoimidazolidin-1-yl)acetic acid
CID 3159673
2-(3-Ethylureido)-2-oxoacetic acid
CID 3064870
Glycine, glycylglycyl-N-methyl-
CID 333408
acetic acid, (((ethylamino)carbonyl)amino)oxo-, monoammonium salt
CID 3064869
Sar-Gly-OH
CID 7021859
N-Acetyltriglycine
CID 14252395
2-(2-(Ethylamino)-2-oxoacetamido)acetic acid
CID 45482725
2-[(2R)-2-(aminomethyl)-2-hydroxy-4,5-dioxoimidazolidin-1-yl]acetic acid
CID 131704182
(2-Ureido-acetylamino)-acetic acid
CID 1745634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid (CID 43466011) is 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid is CNC(=O)NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is OEZYACSNGYODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-7-6(13)9-4(10)2-8-3-5(11)12/h8H,2-3H2,1H3,(H,11,12)(H2,7,9,10,13).
What are the key properties of 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid?
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 189.17 g/mol, XLogP of -1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).