5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid

C9H15N3O5 — CID 102688875

IUPAC5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)NCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C9H15N3O5/c10-9(16)12-4-3-11-7(13)5-1-2-6(17-5)8(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15)(H3,10,12,16)
InChIKeyHMWGCVPJOKWSSK-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.60
Rot. Bonds5

About 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid

5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688875) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688875
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)NCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C9H15N3O5/c10-9(16)12-4-3-11-7(13)5-1-2-6(17-5)8(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15)(H3,10,12,16)
InChIKeyHMWGCVPJOKWSSK-UHFFFAOYSA-N
XLogP-1.60
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-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

5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 106234765
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945764
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688459

Frequently Asked Questions

What is the IUPAC name of 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102688875) is 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid is NC(=O)NCCNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HMWGCVPJOKWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-9(16)12-4-3-11-7(13)5-1-2-6(17-5)8(14)15/h5-6H,1-4H2,(H,11,13)(H,14,15)(H3,10,12,16).
What are the key properties of 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid?
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).