4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

C13H21NO4 — CID 106826144

IUPAC4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2CC(O)CC2C(=O)O)CCCCC1
InChIInChI=1S/C13H21NO4/c1-13(5-3-2-4-6-13)12(18)14-8-9(15)7-10(14)11(16)17/h9-10,15H,2-8H2,1H3,(H,16,17)
InChIKeyKKNTXPNVSWMDSZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.00
Rot. Bonds2

About 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 106826144) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID106826144
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2CC(O)CC2C(=O)O)CCCCC1
InChIInChI=1S/C13H21NO4/c1-13(5-3-2-4-6-13)12(18)14-8-9(15)7-10(14)11(16)17/h9-10,15H,2-8H2,1H3,(H,16,17)
InChIKeyKKNTXPNVSWMDSZ-UHFFFAOYSA-N
XLogP1.00
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975
(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid
CID 65242000
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054
(2S,4R)-4-hydroxy-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 106980719
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
(2R,4R)-4-hydroxy-1-[(1-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104865776

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (CID 106826144) is 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is CC1(C(=O)N2CC(O)CC2C(=O)O)CCCCC1.
What is the InChIKey of 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KKNTXPNVSWMDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(5-3-2-4-6-13)12(18)14-8-9(15)7-10(14)11(16)17/h9-10,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106826144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).