N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide

C16H28N6O — CID 72878492

IUPACN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C
InChIInChI=1S/C16H28N6O/c1-11(2)14-8-21(7-13-5-4-6-13)9-15(14)17-16(23)10-22-12(3)18-19-20-22/h11,13-15H,4-10H2,1-3H3,(H,17,23)/t14-,15+/m1/s1
InChIKeyFUCZBFLAZVNHAV-CABCVRRESA-N
MW320.44 g/mol
LogP0.85
Rot. Bonds6

About N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide

N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 72878492) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID72878492
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide
SMILESCc1nnnn1CC(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C
InChIInChI=1S/C16H28N6O/c1-11(2)14-8-21(7-13-5-4-6-13)9-15(14)17-16(23)10-22-12(3)18-19-20-22/h11,13-15H,4-10H2,1-3H3,(H,17,23)/t14-,15+/m1/s1
InChIKeyFUCZBFLAZVNHAV-CABCVRRESA-N
XLogP0.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide (CID 72878492) is N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide is Cc1nnnn1CC(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is FUCZBFLAZVNHAV-CABCVRRESA-N. The full InChI is InChI=1S/C16H28N6O/c1-11(2)14-8-21(7-13-5-4-6-13)9-15(14)17-16(23)10-22-12(3)18-19-20-22/h11,13-15H,4-10H2,1-3H3,(H,17,23)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide?
N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 72878492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).