2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid

C12H20N2O3 — CID 106744253

IUPAC2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC1NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H20N2O3/c1-7-5-10(7)13-12(17)14-4-3-9(11(15)16)6-8(14)2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPRJWGMDFSSQYRL-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744253) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID106744253
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC1NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H20N2O3/c1-7-5-10(7)13-12(17)14-4-3-9(11(15)16)6-8(14)2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPRJWGMDFSSQYRL-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744292
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744540
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-(2-cyclopropylpropylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744532
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106744198
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744109
2-methyl-1-(2-pyrrolidin-1-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106744451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid (CID 106744253) is 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid is CC1CC1NC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is PRJWGMDFSSQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-5-10(7)13-12(17)14-4-3-9(11(15)16)6-8(14)2/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).