(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid

C16H24N2O3 — CID 129414629

IUPAC(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c(C)n1C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)18-11(3)9-13(12(18)4)15(19)17-8-6-5-7-14(17)16(20)21/h9-10,14H,5-8H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyTZGGQIBYBZZJGS-AWEZNQCLSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds3

About (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 129414629) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID129414629
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c(C)n1C(C)C
InChIInChI=1S/C16H24N2O3/c1-10(2)18-11(3)9-13(12(18)4)15(19)17-8-6-5-7-14(17)16(20)21/h9-10,14H,5-8H2,1-4H3,(H,20,21)/t14-/m0/s1
InChIKeyTZGGQIBYBZZJGS-AWEZNQCLSA-N
XLogP2.77
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301379
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301378
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649594
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
(2R)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-2-carboxylic acid
CID 99639870
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
1-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355581
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 120514933

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid (CID 129414629) is (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c(C)n1C(C)C.
What is the InChIKey of (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is TZGGQIBYBZZJGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)18-11(3)9-13(12(18)4)15(19)17-8-6-5-7-14(17)16(20)21/h9-10,14H,5-8H2,1-4H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 129414629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).