2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C16H17N3O3 — CID 146145461

IUPAC2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cnc2cnccc2c1
InChIInChI=1S/C16H17N3O3/c1-2-16(15(21)22)5-3-7-19(16)14(20)12-8-11-4-6-17-10-13(11)18-9-12/h4,6,8-10H,2-3,5,7H2,1H3,(H,21,22)
InChIKeyWKOBSPIXXKBZKO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.10
Rot. Bonds3

About 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 146145461) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID146145461
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cnc2cnccc2c1
InChIInChI=1S/C16H17N3O3/c1-2-16(15(21)22)5-3-7-19(16)14(20)12-8-11-4-6-17-10-13(11)18-9-12/h4,6,8-10H,2-3,5,7H2,1H3,(H,21,22)
InChIKeyWKOBSPIXXKBZKO-UHFFFAOYSA-N
XLogP2.10
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075548
2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114701453
1-(2,5-dimethylpyrazole-3-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075103
2-ethyl-1-(2-hydroxy-5-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075957
1-(1-benzothiophene-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83058030
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
1-(2-amino-5-methylbenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070726
1-(4-amino-2-fluorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 107794821
2-ethyl-1-(3-ethyl-6-methylpyridazine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104669960

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 146145461) is 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1cnc2cnccc2c1.
What is the InChIKey of 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WKOBSPIXXKBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-16(15(21)22)5-3-7-19(16)14(20)12-8-11-4-6-17-10-13(11)18-9-12/h4,6,8-10H,2-3,5,7H2,1H3,(H,21,22).
What are the key properties of 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,7-naphthyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 146145461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).