3-(carbamoylamino)-2-methylpropanoate

C5H9N2O3- — CID 21123869

IUPAC3-(carbamoylamino)-2-methylpropanoate
SMILESCC(CNC(N)=O)C(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/p-1
InChIKeyPHENTZNALBMCQD-UHFFFAOYSA-M
MW145.14 g/mol
LogP-1.96
Rot. Bonds3

About 3-(carbamoylamino)-2-methylpropanoate

3-(carbamoylamino)-2-methylpropanoate (PubChem CID 21123869) has the molecular formula C5H9N2O3- and a molecular weight of 145.14 g/mol. Its IUPAC name is 3-(carbamoylamino)-2-methylpropanoate.

Molecular Properties

Compound Name3-(carbamoylamino)-2-methylpropanoate
PubChem CID21123869
Molecular FormulaC5H9N2O3-
Molecular Weight145.14 g/mol
Exact Mass145.06
IUPAC Name3-(carbamoylamino)-2-methylpropanoate
SMILESCC(CNC(N)=O)C(=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/p-1
InChIKeyPHENTZNALBMCQD-UHFFFAOYSA-M
XLogP-1.96
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-2-methylpropanoate?
The IUPAC name of 3-(carbamoylamino)-2-methylpropanoate (CID 21123869) is 3-(carbamoylamino)-2-methylpropanoate.
What is the SMILES notation for 3-(carbamoylamino)-2-methylpropanoate?
The canonical SMILES for 3-(carbamoylamino)-2-methylpropanoate is CC(CNC(N)=O)C(=O)[O-].
What is the InChIKey of 3-(carbamoylamino)-2-methylpropanoate?
The InChIKey is PHENTZNALBMCQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/p-1.
What are the key properties of 3-(carbamoylamino)-2-methylpropanoate?
3-(carbamoylamino)-2-methylpropanoate has a molecular weight of 145.14 g/mol, XLogP of -1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-2-methylpropanoate is sourced from PubChem (CID 21123869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).