1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid

C16H14BrNO3 — CID 119355915

IUPAC1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc(Br)cc2ccccc12
InChIInChI=1S/C16H14BrNO3/c17-11-8-10-4-1-2-5-12(10)13(9-11)15(19)18-7-3-6-14(18)16(20)21/h1-2,4-5,8-9,14H,3,6-7H2,(H,20,21)
InChIKeyGHXKJBOTELWCBB-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.29
Rot. Bonds2

About 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid

1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119355915) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119355915
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc(Br)cc2ccccc12
InChIInChI=1S/C16H14BrNO3/c17-11-8-10-4-1-2-5-12(10)13(9-11)15(19)18-7-3-6-14(18)16(20)21/h1-2,4-5,8-9,14H,3,6-7H2,(H,20,21)
InChIKeyGHXKJBOTELWCBB-UHFFFAOYSA-N
XLogP3.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(isoquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120515002
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
1-(4-bromo-2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 43629559
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
1-(2-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 79723645
1-(isoquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355718
(2S)-1-(3-bromo-5-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 61137360
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 119355915) is 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cc(Br)cc2ccccc12.
What is the InChIKey of 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GHXKJBOTELWCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c17-11-8-10-4-1-2-5-12(10)13(9-11)15(19)18-7-3-6-14(18)16(20)21/h1-2,4-5,8-9,14H,3,6-7H2,(H,20,21).
What are the key properties of 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 348.20 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).