3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide

C12H19N5O — CID 166315357

IUPAC3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide
SMILESC[C@@H]1C[C@H]1CCC(=O)NC1CC(c2nn[nH]n2)C1
InChIInChI=1S/C12H19N5O/c1-7-4-8(7)2-3-11(18)13-10-5-9(6-10)12-14-16-17-15-12/h7-10H,2-6H2,1H3,(H,13,18)(H,14,15,16,17)/t7-,8-,9?,10?/m1/s1
InChIKeyXSBZDBXSKWYJLF-LGUIWLBCSA-N
MW249.32 g/mol
LogP1.00
Rot. Bonds5

About 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide

3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide (PubChem CID 166315357) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide
PubChem CID166315357
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide
SMILESC[C@@H]1C[C@H]1CCC(=O)NC1CC(c2nn[nH]n2)C1
InChIInChI=1S/C12H19N5O/c1-7-4-8(7)2-3-11(18)13-10-5-9(6-10)12-14-16-17-15-12/h7-10H,2-6H2,1H3,(H,13,18)(H,14,15,16,17)/t7-,8-,9?,10?/m1/s1
InChIKeyXSBZDBXSKWYJLF-LGUIWLBCSA-N
XLogP1.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide?
The IUPAC name of 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide (CID 166315357) is 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide.
What is the SMILES notation for 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide?
The canonical SMILES for 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide is C[C@@H]1C[C@H]1CCC(=O)NC1CC(c2nn[nH]n2)C1.
What is the InChIKey of 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide?
The InChIKey is XSBZDBXSKWYJLF-LGUIWLBCSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-4-8(7)2-3-11(18)13-10-5-9(6-10)12-14-16-17-15-12/h7-10H,2-6H2,1H3,(H,13,18)(H,14,15,16,17)/t7-,8-,9?,10?/m1/s1.
What are the key properties of 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide?
3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide has a molecular weight of 249.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide is sourced from PubChem (CID 166315357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).