4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid

C12H20N2O6 — CID 66245936

IUPAC4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCCC(=O)OC)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-14(9-7-20-6-8(9)11(16)17)12(18)13-5-4-10(15)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyQOWMNVMQLCLXNB-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.32
Rot. Bonds6

About 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66245936) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66245936
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCCC(=O)OC)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-14(9-7-20-6-8(9)11(16)17)12(18)13-5-4-10(15)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyQOWMNVMQLCLXNB-UHFFFAOYSA-N
XLogP-0.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]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-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246127
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66245936) is 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NCCC(=O)OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is QOWMNVMQLCLXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-14(9-7-20-6-8(9)11(16)17)12(18)13-5-4-10(15)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).