(2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

C17H30N6O — CID 26353623

IUPAC(2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1CC1CCCCC1
InChIInChI=1S/C17H30N6O/c1-13(2)9-18-17(24)16-8-15(23-12-19-20-21-23)11-22(16)10-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3,(H,18,24)/t15-,16+/m1/s1
InChIKeyCLCFEZOMJJCGRU-CVEARBPZSA-N
MW334.47 g/mol
LogP1.64
Rot. Bonds6

About (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

(2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (PubChem CID 26353623) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
PubChem CID26353623
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name(2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1CC1CCCCC1
InChIInChI=1S/C17H30N6O/c1-13(2)9-18-17(24)16-8-15(23-12-19-20-21-23)11-22(16)10-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3,(H,18,24)/t15-,16+/m1/s1
InChIKeyCLCFEZOMJJCGRU-CVEARBPZSA-N
XLogP1.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (CID 26353623) is (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is CC(C)CNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1CC1CCCCC1.
What is the InChIKey of (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is CLCFEZOMJJCGRU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H30N6O/c1-13(2)9-18-17(24)16-8-15(23-12-19-20-21-23)11-22(16)10-14-6-4-3-5-7-14/h12-16H,3-11H2,1-2H3,(H,18,24)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
(2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(cyclohexylmethyl)-N-(2-methylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 26353623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).