(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 64713072

IUPAC(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1C
InChIInChI=1S/C13H23N3O4/c1-3-14-4-5-15(7-9(14)2)13(20)16-8-10(17)6-11(16)12(18)19/h9-11,17H,3-8H2,1-2H3,(H,18,19)/t9?,10-,11-/m0/s1
InChIKeyFGVPIRKUKRHPLD-DVRYWGNFSA-N
MW285.34 g/mol
LogP-0.35
Rot. Bonds2

About (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64713072) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64713072
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1C
InChIInChI=1S/C13H23N3O4/c1-3-14-4-5-15(7-9(14)2)13(20)16-8-10(17)6-11(16)12(18)19/h9-11,17H,3-8H2,1-2H3,(H,18,19)/t9?,10-,11-/m0/s1
InChIKeyFGVPIRKUKRHPLD-DVRYWGNFSA-N
XLogP-0.35
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

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Related Compounds

(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
(2S,4S)-1-(2-ethylthiomorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104874710
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63161889
(2S)-1-(2-ethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61200786
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S,4R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79943919

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64713072) is (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCN1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1C.
What is the InChIKey of (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FGVPIRKUKRHPLD-DVRYWGNFSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-14-4-5-15(7-9(14)2)13(20)16-8-10(17)6-11(16)12(18)19/h9-11,17H,3-8H2,1-2H3,(H,18,19)/t9?,10-,11-/m0/s1.
What are the key properties of (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).