1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid

C12H22N2O4 — CID 79385471

IUPAC1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,18)8-13(3)11(17)14-6-4-5-9(7-14)10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyRKOBYQIACSUHQJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds3

About 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid

1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 79385471) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID79385471
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(CC(C)(C)O)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,18)8-13(3)11(17)14-6-4-5-9(7-14)10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyRKOBYQIACSUHQJ-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 79379381
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
(3S)-1-[methyl(oxan-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126391
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid (CID 79385471) is 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid is CN(CC(C)(C)O)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RKOBYQIACSUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,18)8-13(3)11(17)14-6-4-5-9(7-14)10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 79385471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).