1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one

C14H18N6O — CID 119413579

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCC(C(=O)N1CC[C@@H](N)C1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H18N6O/c1-10(14(21)19-8-7-12(15)9-19)20-17-13(16-18-20)11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3/t10?,12-/m1/s1
InChIKeyFYKRCASXNPNEHA-TVKKRMFBSA-N
MW286.34 g/mol
LogP0.46
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one (PubChem CID 119413579) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
PubChem CID119413579
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCC(C(=O)N1CC[C@@H](N)C1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H18N6O/c1-10(14(21)19-8-7-12(15)9-19)20-17-13(16-18-20)11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3/t10?,12-/m1/s1
InChIKeyFYKRCASXNPNEHA-TVKKRMFBSA-N
XLogP0.46
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364
1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 111470117
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 120808963
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one;hydrochloride
CID 120808962
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one
CID 142781615
5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122119830
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119661883
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-4-phenoxybutan-1-one
CID 119413028
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one (CID 119413579) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one is CC(C(=O)N1CC[C@@H](N)C1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one?
The InChIKey is FYKRCASXNPNEHA-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10(14(21)19-8-7-12(15)9-19)20-17-13(16-18-20)11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3/t10?,12-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one has a molecular weight of 286.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one is sourced from PubChem (CID 119413579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).