(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid

C16H15NO3 — CID 10508341

IUPAC(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3/c18-15(17-9-3-6-14(17)16(19)20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,19,20)/t14-/m0/s1
InChIKeyQBOZZFXENDIBFS-AWEZNQCLSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds2

About (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 10508341) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID10508341
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H15NO3/c18-15(17-9-3-6-14(17)16(19)20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,19,20)/t14-/m0/s1
InChIKeyQBOZZFXENDIBFS-AWEZNQCLSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
1-(3-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 107812953
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
(2R)-1-(4-amino-3-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 78925672
1-(3-iodo-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119357048
1-(3-amino-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 61159154

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 10508341) is (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QBOZZFXENDIBFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(17-9-3-6-14(17)16(19)20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10508341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).