2-(carbamoylamino)acetate

C3H5N2O3- — CID 6988657

IUPAC2-(carbamoylamino)acetate
SMILESNC(=O)NCC(=O)[O-]
InChIInChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)/p-1
InChIKeyKZVRXPPUJQRGFN-UHFFFAOYSA-M
MW117.08 g/mol
LogP-2.60
Rot. Bonds2

About 2-(carbamoylamino)acetate

2-(carbamoylamino)acetate (PubChem CID 6988657) has the molecular formula C3H5N2O3- and a molecular weight of 117.08 g/mol. Its IUPAC name is 2-(carbamoylamino)acetate.

Molecular Properties

Compound Name2-(carbamoylamino)acetate
PubChem CID6988657
Molecular FormulaC3H5N2O3-
Molecular Weight117.08 g/mol
Exact Mass117.03
IUPAC Name2-(carbamoylamino)acetate
SMILESNC(=O)NCC(=O)[O-]
InChIInChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)/p-1
InChIKeyKZVRXPPUJQRGFN-UHFFFAOYSA-M
XLogP-2.60
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 5-2.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)acetate?
The IUPAC name of 2-(carbamoylamino)acetate (CID 6988657) is 2-(carbamoylamino)acetate.
What is the SMILES notation for 2-(carbamoylamino)acetate?
The canonical SMILES for 2-(carbamoylamino)acetate is NC(=O)NCC(=O)[O-].
What is the InChIKey of 2-(carbamoylamino)acetate?
The InChIKey is KZVRXPPUJQRGFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)/p-1.
What are the key properties of 2-(carbamoylamino)acetate?
2-(carbamoylamino)acetate has a molecular weight of 117.08 g/mol, XLogP of -2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)acetate is sourced from PubChem (CID 6988657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).