2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate

C7H13N4O4- — CID 122706624

IUPAC2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate
SMILESCNC(=O)NC(C(=O)[O-])N(C)C(=O)NC
InChIInChI=1S/C7H14N4O4/c1-8-6(14)10-4(5(12)13)11(3)7(15)9-2/h4H,1-3H3,(H,9,15)(H,12,13)(H2,8,10,14)/p-1
InChIKeyGIXBMJJQTAYJBR-UHFFFAOYSA-M
MW217.20 g/mol
LogP-2.74
Rot. Bonds3

About 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate

2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate (PubChem CID 122706624) has the molecular formula C7H13N4O4- and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate.

Molecular Properties

Compound Name2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate
PubChem CID122706624
Molecular FormulaC7H13N4O4-
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Name2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate
SMILESCNC(=O)NC(C(=O)[O-])N(C)C(=O)NC
InChIInChI=1S/C7H14N4O4/c1-8-6(14)10-4(5(12)13)11(3)7(15)9-2/h4H,1-3H3,(H,9,15)(H,12,13)(H2,8,10,14)/p-1
InChIKeyGIXBMJJQTAYJBR-UHFFFAOYSA-M
XLogP-2.74
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
1-butan-2-yl-1,3-dimethylurea
CID 87182460
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
1,3-dimethyl-1-(1,2,2,2-tetrachloroethyl)urea
CID 12906099
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
benzene;ethane;1,1,3-trimethylurea
CID 91245695
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
1,3-dimethyl-1-selanylurea
CID 173304462
CID 142345131
CID 142345131
1-(dimethylamino)-3-methylurea
CID 11819071
1-[1-(dimethylamino)pentan-3-yl]-3-methylurea
CID 89197362

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate?
The IUPAC name of 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate (CID 122706624) is 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate.
What is the SMILES notation for 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate?
The canonical SMILES for 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate is CNC(=O)NC(C(=O)[O-])N(C)C(=O)NC.
What is the InChIKey of 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate?
The InChIKey is GIXBMJJQTAYJBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N4O4/c1-8-6(14)10-4(5(12)13)11(3)7(15)9-2/h4H,1-3H3,(H,9,15)(H,12,13)(H2,8,10,14)/p-1.
What are the key properties of 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate?
2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate has a molecular weight of 217.20 g/mol, XLogP of -2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetate is sourced from PubChem (CID 122706624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).