[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone

C14H23N5O2 — CID 172883911

IUPAC[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCCCCn1nnnc1[C@@H]1CC[C@@H](CO)N1C(=O)C1CC1
InChIInChI=1S/C14H23N5O2/c1-2-3-8-18-13(15-16-17-18)12-7-6-11(9-20)19(12)14(21)10-4-5-10/h10-12,20H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyFFYUIYPJTNXTIU-RYUDHWBXSA-N
MW293.37 g/mol
LogP0.91
Rot. Bonds6

About [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone

[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 172883911) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID172883911
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESCCCCn1nnnc1[C@@H]1CC[C@@H](CO)N1C(=O)C1CC1
InChIInChI=1S/C14H23N5O2/c1-2-3-8-18-13(15-16-17-18)12-7-6-11(9-20)19(12)14(21)10-4-5-10/h10-12,20H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyFFYUIYPJTNXTIU-RYUDHWBXSA-N
XLogP0.91
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.91
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
cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 172884163
[(2S,5S)-5-(1-butyltetrazol-5-yl)-1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 172883901
[(2S,5S)-5-(1-butyltetrazol-5-yl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 172883905
1-butyl-5-(1λ4-thiatricyclo[2.1.0.01,3]pentan-2-yl)tetrazole
CID 88556758
4-[[(1-butyltetrazol-5-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529658
[1-butyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol
CID 119095281
[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
CID 172884093
4-(5-cyclopentyltetrazol-1-yl)butanoic acid
CID 66045339
1-[(2S)-2-[(2R)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346528
4-(5-cycloheptyltetrazol-1-yl)butanoic acid
CID 66046769
2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55462460

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 172883911) is [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone is CCCCn1nnnc1[C@@H]1CC[C@@H](CO)N1C(=O)C1CC1.
What is the InChIKey of [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is FFYUIYPJTNXTIU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-3-8-18-13(15-16-17-18)12-7-6-11(9-20)19(12)14(21)10-4-5-10/h10-12,20H,2-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone?
[(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 293.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2-(1-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 172883911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).