methyl 2,2-bis(carbamoylamino)acetate

C5H10N4O4 — CID 10856268

IUPACmethyl 2,2-bis(carbamoylamino)acetate
SMILESCOC(=O)C(NC(N)=O)NC(N)=O
InChIInChI=1S/C5H10N4O4/c1-13-3(10)2(8-4(6)11)9-5(7)12/h2H,1H3,(H3,6,8,11)(H3,7,9,12)
InChIKeyWVJLLELFROSKLU-UHFFFAOYSA-N
MW190.16 g/mol
LogP-2.18
Rot. Bonds3

About methyl 2,2-bis(carbamoylamino)acetate

methyl 2,2-bis(carbamoylamino)acetate (PubChem CID 10856268) has the molecular formula C5H10N4O4 and a molecular weight of 190.16 g/mol. Its IUPAC name is methyl 2,2-bis(carbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2,2-bis(carbamoylamino)acetate
PubChem CID10856268
Molecular FormulaC5H10N4O4
Molecular Weight190.16 g/mol
Exact Mass190.07
IUPAC Namemethyl 2,2-bis(carbamoylamino)acetate
SMILESCOC(=O)C(NC(N)=O)NC(N)=O
InChIInChI=1S/C5H10N4O4/c1-13-3(10)2(8-4(6)11)9-5(7)12/h2H,1H3,(H3,6,8,11)(H3,7,9,12)
InChIKeyWVJLLELFROSKLU-UHFFFAOYSA-N
XLogP-2.18
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
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

Allantoic acid
CID 203
Ethyl hydantoate
CID 222535
Allantoate
CID 5287444
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
1,6,8-Trimethylallantoate
CID 122706624
Methyl 2-(3-isopropylureido)acetate
CID 43409327
N'-methoxycarbonylmethylurea
CID 13572150
Carbonyl-bis-glycin-athylester
CID 61205093
Silver allantoate
CID 129735027
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
CID 46197059

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(carbamoylamino)acetate?
The IUPAC name of methyl 2,2-bis(carbamoylamino)acetate (CID 10856268) is methyl 2,2-bis(carbamoylamino)acetate.
What is the SMILES notation for methyl 2,2-bis(carbamoylamino)acetate?
The canonical SMILES for methyl 2,2-bis(carbamoylamino)acetate is COC(=O)C(NC(N)=O)NC(N)=O.
What is the InChIKey of methyl 2,2-bis(carbamoylamino)acetate?
The InChIKey is WVJLLELFROSKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O4/c1-13-3(10)2(8-4(6)11)9-5(7)12/h2H,1H3,(H3,6,8,11)(H3,7,9,12).
What are the key properties of methyl 2,2-bis(carbamoylamino)acetate?
methyl 2,2-bis(carbamoylamino)acetate has a molecular weight of 190.16 g/mol, XLogP of -2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(carbamoylamino)acetate is sourced from PubChem (CID 10856268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).