(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H21N3O4 — CID 63843711

IUPAC(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-2-13-3-5-14(6-4-13)12(19)15-8-9(16)7-10(15)11(17)18/h9-10,16H,2-8H2,1H3,(H,17,18)/t9-,10+/m1/s1
InChIKeyISUIFVSAVCJJDX-ZJUUUORDSA-N
MW271.32 g/mol
LogP-0.74
Rot. Bonds2

About (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63843711) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63843711
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-2-13-3-5-14(6-4-13)12(19)15-8-9(16)7-10(15)11(17)18/h9-10,16H,2-8H2,1H3,(H,17,18)/t9-,10+/m1/s1
InChIKeyISUIFVSAVCJJDX-ZJUUUORDSA-N
XLogP-0.74
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-(4-ethylpiperazine-1-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

(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
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
1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61191791
(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713072
(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
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63843711) is (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCN1CCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ISUIFVSAVCJJDX-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-13-3-5-14(6-4-13)12(19)15-8-9(16)7-10(15)11(17)18/h9-10,16H,2-8H2,1H3,(H,17,18)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63843711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).