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

C12H20N2O4 — CID 61187524

IUPAC(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCCN1C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-4-2-3-5-13(8)12(18)14-7-9(15)6-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyFPRKMFPZFULTBM-RTBKNWGFSA-N
MW256.30 g/mol
LogP0.50
Rot. Bonds1

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

(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61187524) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61187524
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCCN1C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-4-2-3-5-13(8)12(18)14-7-9(15)6-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyFPRKMFPZFULTBM-RTBKNWGFSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
(2S)-1-(2-ethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61196770
(2S,4R)-4-hydroxy-1-(2-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 115535190
(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 104891603
(2R,4R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000492
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885046
(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885024
1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82750552
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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 61187524) is (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCCCN1C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FPRKMFPZFULTBM-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-4-2-3-5-13(8)12(18)14-7-9(15)6-10(14)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61187524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).