(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H15ClN2O4 — CID 79001014

IUPAC(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-2-14-5-7(13)3-9(14)11(17)15-6-8(16)4-10(15)12(18)19/h3,5,8,10,16H,2,4,6H2,1H3,(H,18,19)/t8-,10-/m1/s1
InChIKeyBSZRVSGEIJXJHU-PSASIEDQSA-N
MW286.71 g/mol
LogP0.82
Rot. Bonds3

About (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79001014) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79001014
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-2-14-5-7(13)3-9(14)11(17)15-6-8(16)4-10(15)12(18)19/h3,5,8,10,16H,2,4,6H2,1H3,(H,18,19)/t8-,10-/m1/s1
InChIKeyBSZRVSGEIJXJHU-PSASIEDQSA-N
XLogP0.82
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-(4-chloro-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741605
(2S,4S)-1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714386
methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971175
(4R)-3-(4-chloro-1-ethylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144463
1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721380
(2S,4S)-1-(3-bromo-5-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114018207
(2S,4S)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713321
(2S,4S)-1-(4-bromo-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741579
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66120512
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
3-(4-chloro-1-ethylpyrrole-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779447

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79001014) is (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BSZRVSGEIJXJHU-PSASIEDQSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-2-14-5-7(13)3-9(14)11(17)15-6-8(16)4-10(15)12(18)19/h3,5,8,10,16H,2,4,6H2,1H3,(H,18,19)/t8-,10-/m1/s1.
What are the key properties of (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 286.71 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).