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

C10H18N4O5 — CID 83113561

IUPAC4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCCNC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H18N4O5/c1-14(7-5-19-4-6(7)8(15)16)10(18)13-3-2-12-9(11)17/h6-7H,2-5H2,1H3,(H,13,18)(H,15,16)(H3,11,12,17)
InChIKeyHZNJDCRDNUPQTN-UHFFFAOYSA-N
MW274.28 g/mol
LogP-1.60
Rot. Bonds5

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

4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 83113561) has the molecular formula C10H18N4O5 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID83113561
Molecular FormulaC10H18N4O5
Molecular Weight274.28 g/mol
Exact Mass274.13
IUPAC Name4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCCNC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H18N4O5/c1-14(7-5-19-4-6(7)8(15)16)10(18)13-3-2-12-9(11)17/h6-7H,2-5H2,1H3,(H,13,18)(H,15,16)(H3,11,12,17)
InChIKeyHZNJDCRDNUPQTN-UHFFFAOYSA-N
XLogP-1.60
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
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'}

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Related Compounds

4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 115356702
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502
4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117
4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266922
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid (CID 83113561) is 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid is CN(C(=O)NCCNC(N)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is HZNJDCRDNUPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O5/c1-14(7-5-19-4-6(7)8(15)16)10(18)13-3-2-12-9(11)17/h6-7H,2-5H2,1H3,(H,13,18)(H,15,16)(H3,11,12,17).
What are the key properties of 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 274.28 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 4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83113561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).