(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide

C12H20N6O2 — CID 124846176

IUPAC(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESCn1nnc(CNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)n1
InChIInChI=1S/C12H20N6O2/c1-17-15-11(14-16-17)8-13-12(19)18-6-2-4-9(18)10-5-3-7-20-10/h9-10H,2-8H2,1H3,(H,13,19)/t9-,10-/m0/s1
InChIKeyIHMQBVGWVHNRMV-UWVGGRQHSA-N
MW280.33 g/mol
LogP0.06
Rot. Bonds3

About (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide

(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 124846176) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide
PubChem CID124846176
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESCn1nnc(CNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)n1
InChIInChI=1S/C12H20N6O2/c1-17-15-11(14-16-17)8-13-12(19)18-6-2-4-9(18)10-5-3-7-20-10/h9-10H,2-8H2,1H3,(H,13,19)/t9-,10-/m0/s1
InChIKeyIHMQBVGWVHNRMV-UWVGGRQHSA-N
XLogP0.06
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[[1-(cyanomethyl)cyclopropyl]methyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 124846190
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine-5-carboxamide
CID 167951101
2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
CID 107049445
N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 71887228
(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555627
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 100641037
(4aR,7aS)-N-(3-imidazol-1-ylpropyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555636
methyl 2-[5-methyl-4-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]pyrazol-1-yl]acetate
CID 129433240
N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107042292
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxypropanoic acid
CID 66165308
(2R)-N-(6-methyl-1,3-benzodioxol-5-yl)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 129434161

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide (CID 124846176) is (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide is Cn1nnc(CNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)n1.
What is the InChIKey of (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is IHMQBVGWVHNRMV-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-17-15-11(14-16-17)8-13-12(19)18-6-2-4-9(18)10-5-3-7-20-10/h9-10H,2-8H2,1H3,(H,13,19)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide?
(2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methyltetrazol-5-yl)methyl]-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124846176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).