4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid

C13H17N3O4 — CID 114701381

IUPAC4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8-4-14-3-2-9(8)5-15-13(19)16-11-7-20-6-10(11)12(17)18/h2-4,10-11H,5-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyLWDCXTCUCUNPKL-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.29
Rot. Bonds4

About 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid

4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 114701381) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID114701381
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8-4-14-3-2-9(8)5-15-13(19)16-11-7-20-6-10(11)12(17)18/h2-4,10-11H,5-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyLWDCXTCUCUNPKL-UHFFFAOYSA-N
XLogP0.29
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]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-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
4-[(4-bromophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240540
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241559
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxyacetic acid
CID 114701433

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 114701381) is 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid is Cc1cnccc1CNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is LWDCXTCUCUNPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-4-14-3-2-9(8)5-15-13(19)16-11-7-20-6-10(11)12(17)18/h2-4,10-11H,5-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114701381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).