tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate

C11H19N5O2 — CID 59453988

IUPACtert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)12-8-6-4-5-7(8)9-13-15-16-14-9/h7-8H,4-6H2,1-3H3,(H,12,17)(H,13,14,15,16)/t7-,8+/m1/s1
InChIKeyNBGKZTRTJLLLRO-SFYZADRCSA-N
MW253.31 g/mol
LogP1.36
Rot. Bonds2

About tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate

tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate (PubChem CID 59453988) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate
PubChem CID59453988
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Nametert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)12-8-6-4-5-7(8)9-13-15-16-14-9/h7-8H,4-6H2,1-3H3,(H,12,17)(H,13,14,15,16)/t7-,8+/m1/s1
InChIKeyNBGKZTRTJLLLRO-SFYZADRCSA-N
XLogP1.36
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-3-methyl-1-(2H-tetrazol-5-yl)butyl]carbamate
CID 15337078
tert-butyl N-[4-methyl-2-(2H-tetrazol-5-ylmethyl)pentyl]carbamate
CID 53893543
tert-butyl N-[(2S)-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]hexan-2-yl]carbamate
CID 59453822
[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamic acid
CID 68414420
tert-butyl N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]carbamate
CID 118869296
tert-butyl trans-4-(2H-tetrazol-5-yl)cyclohexylmethylcarbamate
CID 121281375
tert-butyl N-[3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
CID 129050666
tert-butyl N-[(1S)-3,3-dimethyl-1-(2H-tetrazol-5-yl)butyl]carbamate
CID 129050668
tert-butyl N-[4-(2H-tetrazol-5-yl)butyl]carbamate
CID 129987149
tert-butyl N-[4-(2H-tetrazol-5-yl)cyclohexyl]carbamate
CID 146435492
tert-butyl N-[(5S)-5-(2-aminoethylamino)-5-(2H-tetrazol-5-yl)pentyl]carbamate
CID 170073813
tert-butyl N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]carbamate
CID 172787774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate (CID 59453988) is tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate?
The InChIKey is NBGKZTRTJLLLRO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)12-8-6-4-5-7(8)9-13-15-16-14-9/h7-8H,4-6H2,1-3H3,(H,12,17)(H,13,14,15,16)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate has a molecular weight of 253.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]carbamate is sourced from PubChem (CID 59453988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).