3-(methylcarbamoylamino)propanoic acid

C5H10N2O3 — CID 16783331

IUPAC3-(methylcarbamoylamino)propanoic acid
SMILESCNC(=O)NCCC(=O)O
InChIInChI=1S/C5H10N2O3/c1-6-5(10)7-3-2-4(8)9/h2-3H2,1H3,(H,8,9)(H2,6,7,10)
InChIKeyOVCTUNWIRUAKAI-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.61
Rot. Bonds3

About 3-(methylcarbamoylamino)propanoic acid

3-(methylcarbamoylamino)propanoic acid (PubChem CID 16783331) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-(methylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(methylcarbamoylamino)propanoic acid
PubChem CID16783331
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name3-(methylcarbamoylamino)propanoic acid
SMILESCNC(=O)NCCC(=O)O
InChIInChI=1S/C5H10N2O3/c1-6-5(10)7-3-2-4(8)9/h2-3H2,1H3,(H,8,9)(H2,6,7,10)
InChIKeyOVCTUNWIRUAKAI-UHFFFAOYSA-N
XLogP-0.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(methylcarbamoylamino)propanoic acid (CID 16783331) is 3-(methylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(methylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(methylcarbamoylamino)propanoic acid is CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-(methylcarbamoylamino)propanoic acid?
The InChIKey is OVCTUNWIRUAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-6-5(10)7-3-2-4(8)9/h2-3H2,1H3,(H,8,9)(H2,6,7,10).
What are the key properties of 3-(methylcarbamoylamino)propanoic acid?
3-(methylcarbamoylamino)propanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16783331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).