1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid

C11H18N2O4 — CID 81114915

IUPAC1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid
SMILESCC1(O)CCN(C(=O)N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C11H18N2O4/c1-11(17)2-4-12(5-3-11)10(16)13-6-8(7-13)9(14)15/h8,17H,2-7H2,1H3,(H,14,15)
InChIKeySXLJHAXUDKCOSJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.03
Rot. Bonds1

About 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid

1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid (PubChem CID 81114915) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid
PubChem CID81114915
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid
SMILESCC1(O)CCN(C(=O)N2CC(C(=O)O)C2)CC1
InChIInChI=1S/C11H18N2O4/c1-11(17)2-4-12(5-3-11)10(16)13-6-8(7-13)9(14)15/h8,17H,2-7H2,1H3,(H,14,15)
InChIKeySXLJHAXUDKCOSJ-UHFFFAOYSA-N
XLogP-0.03
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-4-methylazepane-1-carbonyl)azetidine-3-carboxylic acid
CID 107405522
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 81121128
2-[4-(4-hydroxy-4-methylazepane-1-carbonyl)piperazin-1-yl]acetic acid
CID 107405675
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
1-[4-(acetamidomethyl)piperidine-1-carbonyl]azetidine-3-carboxylic acid
CID 102736737

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid (CID 81114915) is 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid is CC1(O)CCN(C(=O)N2CC(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is SXLJHAXUDKCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(17)2-4-12(5-3-11)10(16)13-6-8(7-13)9(14)15/h8,17H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid?
1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidine-1-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 81114915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).