N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide

C11H22N2O — CID 139573847

IUPACN-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](NC(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-8(14)12-9-5-6-10(7-9)13-11(2,3)4/h9-10,13H,5-7H2,1-4H3,(H,12,14)/t9-,10+/m1/s1
InChIKeyYHJVWGOVAOXJSF-ZJUUUORDSA-N
MW198.31 g/mol
LogP1.43
Rot. Bonds2

About N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide

N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide (PubChem CID 139573847) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
PubChem CID139573847
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](NC(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-8(14)12-9-5-6-10(7-9)13-11(2,3)4/h9-10,13H,5-7H2,1-4H3,(H,12,14)/t9-,10+/m1/s1
InChIKeyYHJVWGOVAOXJSF-ZJUUUORDSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-(methylamino)cyclopentyl]acetamide
CID 139574017
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
3,5-bis(tert-butylamino)cyclohexane-1-carboxylic acid
CID 58003870
N-[(1R,3R)-3-(dimethylamino)cyclopentyl]acetamide
CID 131085914
N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide
CID 58834298
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide?
The IUPAC name of N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide (CID 139573847) is N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide is CC(=O)N[C@@H]1CC[C@H](NC(C)(C)C)C1.
What is the InChIKey of N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide?
The InChIKey is YHJVWGOVAOXJSF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(14)12-9-5-6-10(7-9)13-11(2,3)4/h9-10,13H,5-7H2,1-4H3,(H,12,14)/t9-,10+/m1/s1.
What are the key properties of N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide?
N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide is sourced from PubChem (CID 139573847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).