(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

C12H16N2O3 — CID 28741403

IUPAC(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCn1cccc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-13-7-4-6-9(13)11(15)14-8-3-2-5-10(14)12(16)17/h4,6-7,10H,2-3,5,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyZXDPMLWMBDJNPO-SNVBAGLBSA-N
MW236.27 g/mol
LogP1.10
Rot. Bonds2

About (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 28741403) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID28741403
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCn1cccc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-13-7-4-6-9(13)11(15)14-8-3-2-5-10(14)12(16)17/h4,6-7,10H,2-3,5,8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyZXDPMLWMBDJNPO-SNVBAGLBSA-N
XLogP1.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
methyl 1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43409912
methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 101252038
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899755
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
CID 104939954
(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034397
(2S,3aS,7aR)-1-(1-methylpyrrole-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124725897

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 28741403) is (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is Cn1cccc1C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is ZXDPMLWMBDJNPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-7-4-6-9(13)11(15)14-8-3-2-5-10(14)12(16)17/h4,6-7,10H,2-3,5,8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 28741403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).