(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 55260359

IUPAC(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8-3-2-4-13(6-8)12(18)14-7-9(15)5-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyVZEQKJISLMLFLT-XVBQNVSMSA-N
MW256.30 g/mol
LogP0.36
Rot. Bonds1

About (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 55260359) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID55260359
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-8-3-2-4-13(6-8)12(18)14-7-9(15)5-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyVZEQKJISLMLFLT-XVBQNVSMSA-N
XLogP0.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
(2R,4R)-1-(3-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999597
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63155089
(2S,4R)-1-(3,4-dimethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843405
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
(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
(2S,4S)-1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714131
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 55260359) is (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCCN(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VZEQKJISLMLFLT-XVBQNVSMSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-3-2-4-13(6-8)12(18)14-7-9(15)5-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9-,10+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55260359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).