N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide

C13H23NO3 — CID 58331654

IUPACN-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
SMILESCC(=O)C(NC(=O)C1(O)CCCC1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(15)10(12(2,3)4)14-11(16)13(17)7-5-6-8-13/h10,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyIGZKWRLKIXWZRK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.41
Rot. Bonds3

About N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide

N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide (PubChem CID 58331654) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
PubChem CID58331654
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
SMILESCC(=O)C(NC(=O)C1(O)CCCC1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(15)10(12(2,3)4)14-11(16)13(17)7-5-6-8-13/h10,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyIGZKWRLKIXWZRK-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 113309472
1-hydroxy-N-(3-hydroxy-2,2,4-trimethylpentyl)cyclopentane-1-carboxamide
CID 109381283
(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one
CID 158863781
3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
CID 64689246
N'-acetyl-1-hydroxycyclobutane-1-carbohydrazide
CID 131134101
(2R)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoic acid
CID 103927907
N-(2,2-dimethylpropyl)-1-hydroxycyclobutane-1-carboxamide
CID 126988304
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide
CID 69011772

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide (CID 58331654) is N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide is CC(=O)C(NC(=O)C1(O)CCCC1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is IGZKWRLKIXWZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(15)10(12(2,3)4)14-11(16)13(17)7-5-6-8-13/h10,17H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide?
N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 58331654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).