4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

C12H21N3O6 — CID 83205759

IUPAC4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCCOC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-4-15(9-7-20-6-8(9)10(16)17)12(19)14-3-5-21-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyDPLNJPQRENEXRH-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.40
Rot. Bonds7

About 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 83205759) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID83205759
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCCOC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-4-15(9-7-20-6-8(9)10(16)17)12(19)14-3-5-21-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyDPLNJPQRENEXRH-UHFFFAOYSA-N
XLogP-0.40
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]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-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
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-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252537
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-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296

Frequently Asked Questions

What is the IUPAC name of 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (CID 83205759) is 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NCCOC(N)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DPLNJPQRENEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-2-4-15(9-7-20-6-8(9)10(16)17)12(19)14-3-5-21-11(13)18/h8-9H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17).
What are the key properties of 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83205759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).