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

C14H18N2O3 — CID 79034669

IUPAC(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C14H18N2O3/c17-13(11-5-3-9-15(11)10-6-7-10)16-8-2-1-4-12(16)14(18)19/h3,5,9-10,12H,1-2,4,6-8H2,(H,18,19)/t12-/m1/s1
InChIKeyQKNUSPQGFUDKCY-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.90
Rot. Bonds3

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

(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034669) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034669
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C14H18N2O3/c17-13(11-5-3-9-15(11)10-6-7-10)16-8-2-1-4-12(16)14(18)19/h3,5,9-10,12H,1-2,4,6-8H2,(H,18,19)/t12-/m1/s1
InChIKeyQKNUSPQGFUDKCY-GFCCVEGCSA-N
XLogP1.90
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43639306
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000742
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 114610402
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
CID 104939954
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 114610715

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 79034669) is (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cccn1C1CC1.
What is the InChIKey of (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is QKNUSPQGFUDKCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(11-5-3-9-15(11)10-6-7-10)16-8-2-1-4-12(16)14(18)19/h3,5,9-10,12H,1-2,4,6-8H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).