(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C12H18N2O4 — CID 119365065

IUPAC(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C12H18N2O4/c1-13-6-4-8(7-10(13)15)11(16)14-5-2-3-9(14)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)/t8?,9-/m0/s1
InChIKeyURDJPLNQRBKUOS-GKAPJAKFSA-N
MW254.29 g/mol
LogP-0.07
Rot. Bonds2

About (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119365065) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119365065
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1=O
InChIInChI=1S/C12H18N2O4/c1-13-6-4-8(7-10(13)15)11(16)14-5-2-3-9(14)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)/t8?,9-/m0/s1
InChIKeyURDJPLNQRBKUOS-GKAPJAKFSA-N
XLogP-0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
(2R)-1-(1-methylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034572
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119365065) is (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is CN1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1=O.
What is the InChIKey of (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is URDJPLNQRBKUOS-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13-6-4-8(7-10(13)15)11(16)14-5-2-3-9(14)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).