1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H17ClN2O3 — CID 63146630

IUPAC1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(Cl)cn2C2CC2)C1
InChIInChI=1S/C14H17ClN2O3/c1-14(13(19)20)4-5-16(8-14)12(18)11-6-9(15)7-17(11)10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,19,20)
InChIKeyGQZKPMGHPWNRPP-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146630) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146630
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(Cl)cn2C2CC2)C1
InChIInChI=1S/C14H17ClN2O3/c1-14(13(19)20)4-5-16(8-14)12(18)11-6-9(15)7-17(11)10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,19,20)
InChIKeyGQZKPMGHPWNRPP-UHFFFAOYSA-N
XLogP2.41
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146867
1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114611464
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
(4-chloro-1-cyclopropylpyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250944
1-(4-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146558
1-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146174
1-(5-chloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 113263393
1-(3,5-dichloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146347
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146260
[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 115315134

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63146630) is 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(Cl)cn2C2CC2)C1.
What is the InChIKey of 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GQZKPMGHPWNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(13(19)20)4-5-16(8-14)12(18)11-6-9(15)7-17(11)10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).