6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid

C16H14N2O4 — CID 168698344

IUPAC6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
SMILESNC(=O)C1CC(=O)N(c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C16H14N2O4/c17-15(20)12-7-14(19)18(8-12)13-4-3-9-5-11(16(21)22)2-1-10(9)6-13/h1-6,12H,7-8H2,(H2,17,20)(H,21,22)
InChIKeyJDNFZWJHQORGGI-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.38
Rot. Bonds3

About 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid

6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid (PubChem CID 168698344) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
PubChem CID168698344
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
SMILESNC(=O)C1CC(=O)N(c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C16H14N2O4/c17-15(20)12-7-14(19)18(8-12)13-4-3-9-5-11(16(21)22)2-1-10(9)6-13/h1-6,12H,7-8H2,(H2,17,20)(H,21,22)
InChIKeyJDNFZWJHQORGGI-UHFFFAOYSA-N
XLogP1.38
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697119
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid (CID 168698344) is 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid is NC(=O)C1CC(=O)N(c2ccc3cc(C(=O)O)ccc3c2)C1.
What is the InChIKey of 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid?
The InChIKey is JDNFZWJHQORGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c17-15(20)12-7-14(19)18(8-12)13-4-3-9-5-11(16(21)22)2-1-10(9)6-13/h1-6,12H,7-8H2,(H2,17,20)(H,21,22).
What are the key properties of 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid?
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 168698344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).