2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

C15H27NO2 — CID 43803402

IUPAC2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CCCCC1(C(=O)O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-14(2,3)12-8-4-5-9-15(12,13(17)18)16-10-6-7-11-16/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyILHZPYSQVCAVHI-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds2

About 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 43803402) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
PubChem CID43803402
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC(C)(C)C1CCCCC1(C(=O)O)N1CCCC1
InChIInChI=1S/C15H27NO2/c1-14(2,3)12-8-4-5-9-15(12,13(17)18)16-10-6-7-11-16/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyILHZPYSQVCAVHI-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 64756445
1-(1,4-diazepan-1-yl)-2-methylcyclohexane-1-carboxylic acid
CID 54890527
2-tert-butyl-1-(prop-2-ynylamino)cyclohexane-1-carboxylic acid
CID 61340120
2-(1-amino-2-tert-butylcyclohexyl)acetic acid
CID 64663875
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
2,4,4-trimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 81314459
2-methyl-1-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235080
3-ethyl-4-pyrrolidin-1-ylpiperidine-4-carboxylic acid
CID 114510526
2-[2-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
CID 64527365
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 65420326
2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64527605

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (CID 43803402) is 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is CC(C)(C)C1CCCCC1(C(=O)O)N1CCCC1.
What is the InChIKey of 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is ILHZPYSQVCAVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)12-8-4-5-9-15(12,13(17)18)16-10-6-7-11-16/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).