(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 78999372

IUPAC(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCN1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-3-14-4-6-15(7-5-14)13(20)16-9-10(17)8-11(16)12(18)19/h10-11,17H,2-9H2,1H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyOQDPKMKDAFCGRI-GHMZBOCLSA-N
MW285.34 g/mol
LogP-0.35
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78999372) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78999372
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCN1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-2-3-14-4-6-15(7-5-14)13(20)16-9-10(17)8-11(16)12(18)19/h10-11,17H,2-9H2,1H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyOQDPKMKDAFCGRI-GHMZBOCLSA-N
XLogP-0.35
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-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-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442853
(2S,4R)-1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842181
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63161889
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713575
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713072
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 78999372) is (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CCCN1CCN(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OQDPKMKDAFCGRI-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-3-14-4-6-15(7-5-14)13(20)16-9-10(17)8-11(16)12(18)19/h10-11,17H,2-9H2,1H3,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).