3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid

C12H18N4O4 — CID 64889268

IUPAC3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCCCn1ccnc1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H18N4O4/c17-10(18)12(2-7-20-8-12)15-11(19)14-3-1-5-16-6-4-13-9-16/h4,6,9H,1-3,5,7-8H2,(H,17,18)(H2,14,15,19)
InChIKeyQAUTVCJCKNFULX-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.18
Rot. Bonds6

About 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid

3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 64889268) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID64889268
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCCCn1ccnc1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H18N4O4/c17-10(18)12(2-7-20-8-12)15-11(19)14-3-1-5-16-6-4-13-9-16/h4,6,9H,1-3,5,7-8H2,(H,17,18)(H2,14,15,19)
InChIKeyQAUTVCJCKNFULX-UHFFFAOYSA-N
XLogP-0.18
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-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

Related Compounds

3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893261
4-[(2-imidazol-1-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440421
3-(3-methylsulfanylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64894112
3-[3-(ethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893471
3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892261
3-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892666
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
1-(3-imidazol-1-ylpropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123353
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72907827
3-imidazol-1-ylpropylurea
CID 22179621

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid (CID 64889268) is 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid is O=C(NCCCn1ccnc1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is QAUTVCJCKNFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-10(18)12(2-7-20-8-12)15-11(19)14-3-1-5-16-6-4-13-9-16/h4,6,9H,1-3,5,7-8H2,(H,17,18)(H2,14,15,19).
What are the key properties of 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid?
3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64889268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).