(2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide

C13H21N5O2 — CID 164641190

IUPAC(2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide
SMILESC[C@@H](C(=O)NCC(=O)C1CC1)n1nnnc1C(C)(C)C
InChIInChI=1S/C13H21N5O2/c1-8(11(20)14-7-10(19)9-5-6-9)18-12(13(2,3)4)15-16-17-18/h8-9H,5-7H2,1-4H3,(H,14,20)/t8-/m0/s1
InChIKeyAVWBLZILHQAVEF-QMMMGPOBSA-N
MW279.34 g/mol
LogP0.63
Rot. Bonds5

About (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide

(2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide (PubChem CID 164641190) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide
PubChem CID164641190
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide
SMILESC[C@@H](C(=O)NCC(=O)C1CC1)n1nnnc1C(C)(C)C
InChIInChI=1S/C13H21N5O2/c1-8(11(20)14-7-10(19)9-5-6-9)18-12(13(2,3)4)15-16-17-18/h8-9H,5-7H2,1-4H3,(H,14,20)/t8-/m0/s1
InChIKeyAVWBLZILHQAVEF-QMMMGPOBSA-N
XLogP0.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide?
The IUPAC name of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide (CID 164641190) is (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide.
What is the SMILES notation for (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide?
The canonical SMILES for (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide is C[C@@H](C(=O)NCC(=O)C1CC1)n1nnnc1C(C)(C)C.
What is the InChIKey of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide?
The InChIKey is AVWBLZILHQAVEF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(11(20)14-7-10(19)9-5-6-9)18-12(13(2,3)4)15-16-17-18/h8-9H,5-7H2,1-4H3,(H,14,20)/t8-/m0/s1.
What are the key properties of (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide?
(2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-tert-butyltetrazol-1-yl)-N-(2-cyclopropyl-2-oxoethyl)propanamide is sourced from PubChem (CID 164641190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).