(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

C14H17BrN2O3 — CID 66264683

IUPAC(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H17BrN2O3/c15-9-7-12(17(8-9)10-4-5-10)13(18)16-6-2-1-3-11(16)14(19)20/h7-8,10-11H,1-6H2,(H,19,20)/t11-/m0/s1
InChIKeyJMDBLEXCZVINDK-NSHDSACASA-N
MW341.21 g/mol
LogP2.66
Rot. Bonds3

About (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66264683) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID66264683
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H17BrN2O3/c15-9-7-12(17(8-9)10-4-5-10)13(18)16-6-2-1-3-11(16)14(19)20/h7-8,10-11H,1-6H2,(H,19,20)/t11-/m0/s1
InChIKeyJMDBLEXCZVINDK-NSHDSACASA-N
XLogP2.66
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922359
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64558595
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775816
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide
CID 83095402
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 62674187
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 43640964

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 66264683) is (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is JMDBLEXCZVINDK-NSHDSACASA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-9-7-12(17(8-9)10-4-5-10)13(18)16-6-2-1-3-11(16)14(19)20/h7-8,10-11H,1-6H2,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).