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

C18H32N6O — CID 72895096

IUPAC2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCc1nnnn1CCCN1C[C@H](NC(=O)CC2CCC2)[C@@H](C(C)C)C1
InChIInChI=1S/C18H32N6O/c1-13(2)16-11-23(8-5-9-24-14(3)20-21-22-24)12-17(16)19-18(25)10-15-6-4-7-15/h13,15-17H,4-12H2,1-3H3,(H,19,25)/t16-,17+/m1/s1
InChIKeyAVMJEMMXVWRYCM-SJORKVTESA-N
MW348.50 g/mol
LogP1.63
Rot. Bonds8

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

2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72895096) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72895096
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCc1nnnn1CCCN1C[C@H](NC(=O)CC2CCC2)[C@@H](C(C)C)C1
InChIInChI=1S/C18H32N6O/c1-13(2)16-11-23(8-5-9-24-14(3)20-21-22-24)12-17(16)19-18(25)10-15-6-4-7-15/h13,15-17H,4-12H2,1-3H3,(H,19,25)/t16-,17+/m1/s1
InChIKeyAVMJEMMXVWRYCM-SJORKVTESA-N
XLogP1.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{rel-(3R,4S)-1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide hydrochloride
CID 72913811
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)ethanone
CID 72924284
2-methyl-N-[1-(1-methyltetrazol-5-yl)ethyl]hexanamide
CID 121521258
13-Propan-2-yl-1,8,12,15,16,17-hexazabicyclo[12.3.0]heptadeca-14,16-dien-7-one
CID 135034638
N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 1445100
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethylbutanamide
CID 30295267
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-propylpentanamide
CID 30295271
N-[(1-cyclopentyltetrazol-5-yl)methyl]cyclopentanecarboxamide
CID 30295278
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-propylpentanamide
CID 41568277
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)cyclopentanecarboxamide
CID 41568279
2-cyclopentyl-N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 53614059
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-2-(5-methyl-1H-tetrazol-1-yl)acetamide hydrochloride
CID 72878492

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 72895096) is 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is Cc1nnnn1CCCN1C[C@H](NC(=O)CC2CCC2)[C@@H](C(C)C)C1.
What is the InChIKey of 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is AVMJEMMXVWRYCM-SJORKVTESA-N. The full InChI is InChI=1S/C18H32N6O/c1-13(2)16-11-23(8-5-9-24-14(3)20-21-22-24)12-17(16)19-18(25)10-15-6-4-7-15/h13,15-17H,4-12H2,1-3H3,(H,19,25)/t16-,17+/m1/s1.
What are the key properties of 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 348.50 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(3R,4S)-1-[3-(5-methyltetrazol-1-yl)propyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72895096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).