3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid

C14H24N2O3 — CID 114085275

IUPAC3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1CC1CNC(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9-7-10(9)8-15-13(19)16-6-4-5-14(2,3)11(16)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZRQVOXCAZYDJJX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds3

About 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid

3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 114085275) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID114085275
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1CC1CNC(=O)N1CCCC(C)(C)C1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-9-7-10(9)8-15-13(19)16-6-4-5-14(2,3)11(16)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZRQVOXCAZYDJJX-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-amino-3-oxopropyl)carbamoyl]-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085230
1-(hex-5-ynylcarbamoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 106215867
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012
3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 114085090
1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085623
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
1-(5-aminopentanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085633
3,3-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106283369
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107405688

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 114085275) is 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid is CC1CC1CNC(=O)N1CCCC(C)(C)C1C(=O)O.
What is the InChIKey of 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is ZRQVOXCAZYDJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-7-10(9)8-15-13(19)16-6-4-5-14(2,3)11(16)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid?
3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methylcyclopropyl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114085275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).