1-(carbamoylamino)cyclopropane-1-carboxylic acid

C5H8N2O3 — CID 55290311

IUPAC1-(carbamoylamino)cyclopropane-1-carboxylic acid
SMILESNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C5H8N2O3/c6-4(10)7-5(1-2-5)3(8)9/h1-2H2,(H,8,9)(H3,6,7,10)
InChIKeyVECVSZDWIINWIK-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.73
Rot. Bonds2

About 1-(carbamoylamino)cyclopropane-1-carboxylic acid

1-(carbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 55290311) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-(carbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(carbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID55290311
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name1-(carbamoylamino)cyclopropane-1-carboxylic acid
SMILESNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C5H8N2O3/c6-4(10)7-5(1-2-5)3(8)9/h1-2H2,(H,8,9)(H3,6,7,10)
InChIKeyVECVSZDWIINWIK-UHFFFAOYSA-N
XLogP-0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(carbamoylamino)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(carbamoylamino)cyclopropane-1-carboxylic acid (CID 55290311) is 1-(carbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(carbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(carbamoylamino)cyclopropane-1-carboxylic acid is NC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(carbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is VECVSZDWIINWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-4(10)7-5(1-2-5)3(8)9/h1-2H2,(H,8,9)(H3,6,7,10).
What are the key properties of 1-(carbamoylamino)cyclopropane-1-carboxylic acid?
1-(carbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55290311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).