1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

C15H26N2O3 — CID 107071939

IUPAC1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NC2CCC(C)(C)C2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10-5-4-8-17(12(10)13(18)19)14(20)16-11-6-7-15(2,3)9-11/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGUTDPCOEZCTOJI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071939) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071939
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NC2CCC(C)(C)C2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10-5-4-8-17(12(10)13(18)19)14(20)16-11-6-7-15(2,3)9-11/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGUTDPCOEZCTOJI-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107071939) is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)NC2CCC(C)(C)C2)C1C(=O)O.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is GUTDPCOEZCTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-4-8-17(12(10)13(18)19)14(20)16-11-6-7-15(2,3)9-11/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).