2-[(carbamoylamino)methyl]prop-2-enoic acid

C5H8N2O3 — CID 54388195

IUPAC2-[(carbamoylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC(N)=O)C(=O)O
InChIInChI=1S/C5H8N2O3/c1-3(4(8)9)2-7-5(6)10/h1-2H2,(H,8,9)(H3,6,7,10)
InChIKeyVETHYLAFVHIKPH-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.70
Rot. Bonds3

About 2-[(carbamoylamino)methyl]prop-2-enoic acid

2-[(carbamoylamino)methyl]prop-2-enoic acid (PubChem CID 54388195) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-[(carbamoylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(carbamoylamino)methyl]prop-2-enoic acid
PubChem CID54388195
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-[(carbamoylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC(N)=O)C(=O)O
InChIInChI=1S/C5H8N2O3/c1-3(4(8)9)2-7-5(6)10/h1-2H2,(H,8,9)(H3,6,7,10)
InChIKeyVETHYLAFVHIKPH-UHFFFAOYSA-N
XLogP-0.70
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(carbamoylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(carbamoylamino)methyl]prop-2-enoic acid (CID 54388195) is 2-[(carbamoylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(carbamoylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(carbamoylamino)methyl]prop-2-enoic acid is C=C(CNC(N)=O)C(=O)O.
What is the InChIKey of 2-[(carbamoylamino)methyl]prop-2-enoic acid?
The InChIKey is VETHYLAFVHIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(4(8)9)2-7-5(6)10/h1-2H2,(H,8,9)(H3,6,7,10).
What are the key properties of 2-[(carbamoylamino)methyl]prop-2-enoic acid?
2-[(carbamoylamino)methyl]prop-2-enoic acid has a molecular weight of 144.13 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(carbamoylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 54388195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).