2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate

C7H13N3O4 — CID 139211428

IUPAC2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate
SMILESNCC(=O)OCCNC(=O)NCC=O
InChIInChI=1S/C7H13N3O4/c8-5-6(12)14-4-2-10-7(13)9-1-3-11/h3H,1-2,4-5,8H2,(H2,9,10,13)
InChIKeyDDBVYCJNEUXXNL-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.01
Rot. Bonds6

About 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate

2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate (PubChem CID 139211428) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate.

Molecular Properties

Compound Name2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate
PubChem CID139211428
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate
SMILESNCC(=O)OCCNC(=O)NCC=O
InChIInChI=1S/C7H13N3O4/c8-5-6(12)14-4-2-10-7(13)9-1-3-11/h3H,1-2,4-5,8H2,(H2,9,10,13)
InChIKeyDDBVYCJNEUXXNL-UHFFFAOYSA-N
XLogP-2.01
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl hydantoate
CID 222535
Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
Carbonyl-bis-glycin-athylester
CID 61205093
Acetic acid, (3-methylureido)-, ethyl ester
CID 251728
Ethyl 2-(dimethylcarbamoylamino)acetate
CID 350289
Methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
CID 46197059
Ethyl 2-[formylcarbamoyl(sulfanyl)amino]acetate
CID 90816908
Ethyl 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetate
CID 60970480
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 61492672
2-[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]acetic acid
CID 105919062
Methyl 2-(methylcarbamoylamino)acetate
CID 13572154
Ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate?
The IUPAC name of 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate (CID 139211428) is 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate.
What is the SMILES notation for 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate?
The canonical SMILES for 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate is NCC(=O)OCCNC(=O)NCC=O.
What is the InChIKey of 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate?
The InChIKey is DDBVYCJNEUXXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-5-6(12)14-4-2-10-7(13)9-1-3-11/h3H,1-2,4-5,8H2,(H2,9,10,13).
What are the key properties of 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate?
2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate has a molecular weight of 203.20 g/mol, XLogP of -2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethylcarbamoylamino)ethyl 2-aminoacetate is sourced from PubChem (CID 139211428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).