3-(carbamoylamino)propanoate

C4H7N2O3- — CID 6971254

IUPAC3-(carbamoylamino)propanoate
SMILESNC(=O)NCCC(=O)[O-]
InChIInChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)/p-1
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-M
MW131.11 g/mol
LogP-2.21
Rot. Bonds3

About 3-(carbamoylamino)propanoate

3-(carbamoylamino)propanoate (PubChem CID 6971254) has the molecular formula C4H7N2O3- and a molecular weight of 131.11 g/mol. Its IUPAC name is 3-(carbamoylamino)propanoate.

Molecular Properties

Compound Name3-(carbamoylamino)propanoate
PubChem CID6971254
Molecular FormulaC4H7N2O3-
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name3-(carbamoylamino)propanoate
SMILESNC(=O)NCCC(=O)[O-]
InChIInChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)/p-1
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-M
XLogP-2.21
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)propanoate?
The IUPAC name of 3-(carbamoylamino)propanoate (CID 6971254) is 3-(carbamoylamino)propanoate.
What is the SMILES notation for 3-(carbamoylamino)propanoate?
The canonical SMILES for 3-(carbamoylamino)propanoate is NC(=O)NCCC(=O)[O-].
What is the InChIKey of 3-(carbamoylamino)propanoate?
The InChIKey is JSJWCHRYRHKBBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)/p-1.
What are the key properties of 3-(carbamoylamino)propanoate?
3-(carbamoylamino)propanoate has a molecular weight of 131.11 g/mol, XLogP of -2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)propanoate is sourced from PubChem (CID 6971254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).