2-(carbamoylamino)butanoic acid

C5H10N2O3 — CID 4095663

IUPAC2-(carbamoylamino)butanoic acid
SMILESCCC(NC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
InChIKeyYZKPZSDKMUSSHE-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.48
Rot. Bonds3

About 2-(carbamoylamino)butanoic acid

2-(carbamoylamino)butanoic acid (PubChem CID 4095663) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(carbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)butanoic acid
PubChem CID4095663
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-(carbamoylamino)butanoic acid
SMILESCCC(NC(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
InChIKeyYZKPZSDKMUSSHE-UHFFFAOYSA-N
XLogP-0.48
TPSA92.42 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 ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)butanoic acid?
The IUPAC name of 2-(carbamoylamino)butanoic acid (CID 4095663) is 2-(carbamoylamino)butanoic acid.
What is the SMILES notation for 2-(carbamoylamino)butanoic acid?
The canonical SMILES for 2-(carbamoylamino)butanoic acid is CCC(NC(N)=O)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)butanoic acid?
The InChIKey is YZKPZSDKMUSSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10).
What are the key properties of 2-(carbamoylamino)butanoic acid?
2-(carbamoylamino)butanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)butanoic acid is sourced from PubChem (CID 4095663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).