2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid

C7H12N2O5 — CID 61205093

IUPAC2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid
SMILESCCOC(=O)CNC(=O)NCC(=O)O
InChIInChI=1S/C7H12N2O5/c1-2-14-6(12)4-9-7(13)8-3-5(10)11/h2-4H2,1H3,(H,10,11)(H2,8,9,13)
InChIKeyRHRHFKLKZDKMRF-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.07
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid

2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid (PubChem CID 61205093) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid
PubChem CID61205093
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid
SMILESCCOC(=O)CNC(=O)NCC(=O)O
InChIInChI=1S/C7H12N2O5/c1-2-14-6(12)4-9-7(13)8-3-5(10)11/h2-4H2,1H3,(H,10,11)(H2,8,9,13)
InChIKeyRHRHFKLKZDKMRF-UHFFFAOYSA-N
XLogP-1.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid (CID 61205093) is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid is CCOC(=O)CNC(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid?
The InChIKey is RHRHFKLKZDKMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-2-14-6(12)4-9-7(13)8-3-5(10)11/h2-4H2,1H3,(H,10,11)(H2,8,9,13).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid?
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid has a molecular weight of 204.18 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]acetic acid is sourced from PubChem (CID 61205093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).