(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid

C16H16N2O4 — CID 119372066

IUPAC(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H16N2O4/c19-14(18-7-3-6-13(18)16(21)22)9-11-8-10-4-1-2-5-12(10)17-15(11)20/h1-2,4-5,8,13H,3,6-7,9H2,(H,17,20)(H,21,22)/t13-/m1/s1
InChIKeyWLRCNDGFRFFENS-CYBMUJFWSA-N
MW300.31 g/mol
LogP1.15
Rot. Bonds3

About (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119372066) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119372066
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H16N2O4/c19-14(18-7-3-6-13(18)16(21)22)9-11-8-10-4-1-2-5-12(10)17-15(11)20/h1-2,4-5,8,13H,3,6-7,9H2,(H,17,20)(H,21,22)/t13-/m1/s1
InChIKeyWLRCNDGFRFFENS-CYBMUJFWSA-N
XLogP1.15
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
(3S)-2-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151333
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
6-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-6-azaspiro[4.5]decane-8-carboxylic acid
CID 154871809
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
CID 166224998
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 119372066) is (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WLRCNDGFRFFENS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14(18-7-3-6-13(18)16(21)22)9-11-8-10-4-1-2-5-12(10)17-15(11)20/h1-2,4-5,8,13H,3,6-7,9H2,(H,17,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119372066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).