cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H23N5O2 — CID 172884163

IUPACcyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1[C@H](CO)CC[C@@H]1c1nnnn1C1CC1
InChIInChI=1S/C15H23N5O2/c21-9-12-7-8-13(14-16-17-18-20(14)11-5-6-11)19(12)15(22)10-3-1-2-4-10/h10-13,21H,1-9H2/t12-,13+/m0/s1
InChIKeyCAVAPLQZLOHYKR-QWHCGFSZSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds4

About cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone

cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 172884163) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID172884163
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Namecyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1[C@H](CO)CC[C@@H]1c1nnnn1C1CC1
InChIInChI=1S/C15H23N5O2/c21-9-12-7-8-13(14-16-17-18-20(14)11-5-6-11)19(12)15(22)10-3-1-2-4-10/h10-13,21H,1-9H2/t12-,13+/m0/s1
InChIKeyCAVAPLQZLOHYKR-QWHCGFSZSA-N
XLogP1.22
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 172884146
[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
CID 172883875
[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
CID 172884093
[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 172883911
[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
CID 172884016
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
4-(1-cyclopropyltetrazol-5-yl)-1-methylpiperidine
CID 118303256
cyclopropyl-[2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 56804519
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 172884163) is cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1[C@H](CO)CC[C@@H]1c1nnnn1C1CC1.
What is the InChIKey of cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is CAVAPLQZLOHYKR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-9-12-7-8-13(14-16-17-18-20(14)11-5-6-11)19(12)15(22)10-3-1-2-4-10/h10-13,21H,1-9H2/t12-,13+/m0/s1.
What are the key properties of cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone?
cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 172884163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).