4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C13H17N3O4 — CID 66239350

IUPAC4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccncc1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-16(6-9-2-4-14-5-3-9)13(19)15-11-8-20-7-10(11)12(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyKCXCOZAIQFRIKB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.32
Rot. Bonds4

About 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66239350) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66239350
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1ccncc1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-16(6-9-2-4-14-5-3-9)13(19)15-11-8-20-7-10(11)12(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyKCXCOZAIQFRIKB-UHFFFAOYSA-N
XLogP0.32
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240363
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66223325

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66239350) is 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(Cc1ccncc1)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is KCXCOZAIQFRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(6-9-2-4-14-5-3-9)13(19)15-11-8-20-7-10(11)12(17)18/h2-5,10-11H,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).