N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C13H24N2O2 — CID 111841157

IUPACN-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)CCCC1NC(=O)N1CCC(CO)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)6-3-4-11(13)14-12(17)15-7-5-10(8-15)9-16/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGVYPDSQODCEZIP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.59
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111841157) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111841157
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)CCCC1NC(=O)N1CCC(CO)C1
InChIInChI=1S/C13H24N2O2/c1-13(2)6-3-4-11(13)14-12(17)15-7-5-10(8-15)9-16/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGVYPDSQODCEZIP-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide
CID 164642735
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765070
2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111459187
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 115965766
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841200
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111841157) is N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is CC1(C)CCCC1NC(=O)N1CCC(CO)C1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is GVYPDSQODCEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2)6-3-4-11(13)14-12(17)15-7-5-10(8-15)9-16/h10-11,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111841157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).