4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid

C14H16N2O5 — CID 66256427

IUPAC4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H16N2O5/c1-14(13(19)20)7-21-6-10(14)16-12(18)9-4-2-8(3-5-9)11(15)17/h2-5,10H,6-7H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyLURVPVLUQKJJKK-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.00
Rot. Bonds4

About 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66256427) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66256427
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H16N2O5/c1-14(13(19)20)7-21-6-10(14)16-12(18)9-4-2-8(3-5-9)11(15)17/h2-5,10H,6-7H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyLURVPVLUQKJJKK-UHFFFAOYSA-N
XLogP0.00
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66256427) is 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is LURVPVLUQKJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-14(13(19)20)7-21-6-10(14)16-12(18)9-4-2-8(3-5-9)11(15)17/h2-5,10H,6-7H2,1H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66256427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).