3-(carbamoylamino)propanoic acid

C4H8N2O3 — CID 111

IUPAC3-(carbamoylamino)propanoic acid
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)
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.87
Rot. Bonds3

About 3-(carbamoylamino)propanoic acid

3-(carbamoylamino)propanoic acid (PubChem CID 111) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 3-(carbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)propanoic acid
PubChem CID111
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name3-(carbamoylamino)propanoic acid
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)
InChIKeyJSJWCHRYRHKBBW-UHFFFAOYSA-N
XLogP-0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)propanoic acid?
The IUPAC name of 3-(carbamoylamino)propanoic acid (CID 111) is 3-(carbamoylamino)propanoic acid.
What is the SMILES notation for 3-(carbamoylamino)propanoic acid?
The canonical SMILES for 3-(carbamoylamino)propanoic acid is NC(=O)NCCC(=O)O.
What is the InChIKey of 3-(carbamoylamino)propanoic acid?
The InChIKey is JSJWCHRYRHKBBW-UHFFFAOYSA-N. 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).
What are the key properties of 3-(carbamoylamino)propanoic acid?
3-(carbamoylamino)propanoic acid has a molecular weight of 132.12 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)propanoic acid is sourced from PubChem (CID 111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).