4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid

C12H22N4O5 — CID 83113841

IUPAC4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCCNC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H22N4O5/c1-2-5-16(9-7-21-6-8(9)10(17)18)12(20)15-4-3-14-11(13)19/h8-9H,2-7H2,1H3,(H,15,20)(H,17,18)(H3,13,14,19)
InChIKeyZLQOTSCDIHBIHM-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.82
Rot. Bonds7

About 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid

4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid (PubChem CID 83113841) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
PubChem CID83113841
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCCNC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H22N4O5/c1-2-5-16(9-7-21-6-8(9)10(17)18)12(20)15-4-3-14-11(13)19/h8-9H,2-7H2,1H3,(H,15,20)(H,17,18)(H3,13,14,19)
InChIKeyZLQOTSCDIHBIHM-UHFFFAOYSA-N
XLogP-0.82
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]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

4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 107297361
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66252743
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252537

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid (CID 83113841) is 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)NCCNC(N)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid?
The InChIKey is ZLQOTSCDIHBIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-2-5-16(9-7-21-6-8(9)10(17)18)12(20)15-4-3-14-11(13)19/h8-9H,2-7H2,1H3,(H,15,20)(H,17,18)(H3,13,14,19).
What are the key properties of 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid?
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of -0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83113841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).