N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

C13H24N2O2 — CID 107176150

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1(O)CCNC1
InChIInChI=1S/C13H24N2O2/c1-12(2)5-3-4-10(12)11(16)15-9-13(17)6-7-14-8-13/h10,14,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyZXVOONTUUPDEKG-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.65
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107176150) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107176150
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1(O)CCNC1
InChIInChI=1S/C13H24N2O2/c1-12(2)5-3-4-10(12)11(16)15-9-13(17)6-7-14-8-13/h10,14,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyZXVOONTUUPDEKG-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 114760533
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184438
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
2,2-dimethyl-N-(3-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 107423005
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
3,3-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 114226262
2,2-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 107181083
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107176150) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCC1(O)CCNC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is ZXVOONTUUPDEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2)5-3-4-10(12)11(16)15-9-13(17)6-7-14-8-13/h10,14,17H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107176150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).