4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

C12H16N2O5 — CID 66248963

IUPAC4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCc1ccco1
InChIInChI=1S/C12H16N2O5/c1-12(10(15)16)7-18-6-9(12)14-11(17)13-5-8-3-2-4-19-8/h2-4,9H,5-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyDINHBTOHFCZJKY-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.57
Rot. Bonds4

About 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66248963) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66248963
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCc1ccco1
InChIInChI=1S/C12H16N2O5/c1-12(10(15)16)7-18-6-9(12)14-11(17)13-5-8-3-2-4-19-8/h2-4,9H,5-7H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyDINHBTOHFCZJKY-UHFFFAOYSA-N
XLogP0.57
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250151
4-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66249979
4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66250740
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
4-[[2-(3-aminophenyl)acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249930
3-methyl-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249390
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 114174525
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
4-[[4-(hydroxymethyl)benzoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250277
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (CID 66248963) is 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)NCc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is DINHBTOHFCZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(10(15)16)7-18-6-9(12)14-11(17)13-5-8-3-2-4-19-8/h2-4,9H,5-7H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).