[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone

C16H27N5O2 — CID 172884146

IUPAC[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC(C)(C)n1nnnc1[C@H]1CC[C@@H](CO)N1C(=O)C1CCCC1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)21-14(17-18-19-21)13-9-8-12(10-22)20(13)15(23)11-6-4-5-7-11/h11-13,22H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyKOLXWCKADQWHNF-QWHCGFSZSA-N
MW321.43 g/mol
LogP1.64
Rot. Bonds3

About [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone

[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 172884146) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID172884146
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC(C)(C)n1nnnc1[C@H]1CC[C@@H](CO)N1C(=O)C1CCCC1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)21-14(17-18-19-21)13-9-8-12(10-22)20(13)15(23)11-6-4-5-7-11/h11-13,22H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyKOLXWCKADQWHNF-QWHCGFSZSA-N
XLogP1.64
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 172884163
[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 172883911
[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
CID 172884093
[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
CID 172883875
(6S)-6-(1-tert-butyltetrazol-5-yl)piperidin-2-one
CID 125495300
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923
2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
CID 79810085
[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol
CID 126831554
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46991450
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone (CID 172884146) is [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone is CC(C)(C)n1nnnc1[C@H]1CC[C@@H](CO)N1C(=O)C1CCCC1.
What is the InChIKey of [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is KOLXWCKADQWHNF-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(2,3)21-14(17-18-19-21)13-9-8-12(10-22)20(13)15(23)11-6-4-5-7-11/h11-13,22H,4-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone?
[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 321.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 172884146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).