4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid

C12H21NO3 — CID 114351561

IUPAC4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCC(N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-8-3-2-4-9(5-8)13-7-10(14)6-11(13)12(15)16/h8-11,14H,2-7H2,1H3,(H,15,16)
InChIKeyIJPYYIFSCTXTIB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.08
Rot. Bonds2

About 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid (PubChem CID 114351561) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid
PubChem CID114351561
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCC(N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-8-3-2-4-9(5-8)13-7-10(14)6-11(13)12(15)16/h8-11,14H,2-7H2,1H3,(H,15,16)
InChIKeyIJPYYIFSCTXTIB-UHFFFAOYSA-N
XLogP1.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67775431
(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 67774938
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
4-hydroxy-1-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 134341510
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351773
1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
CID 114426723

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid (CID 114351561) is 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid is CC1CCCC(N2CC(O)CC2C(=O)O)C1.
What is the InChIKey of 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IJPYYIFSCTXTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-3-2-4-9(5-8)13-7-10(14)6-11(13)12(15)16/h8-11,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).