2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

C13H19N3O — CID 81405144

IUPAC2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)CC1(N)CCC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-2-7-15-9-11)16-12(17)8-13(14)5-3-6-13/h2,4,7,9-10H,3,5-6,8,14H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyBWWMXGDYNWQXCX-JTQLQIEISA-N
MW233.31 g/mol
LogP1.53
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (PubChem CID 81405144) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
PubChem CID81405144
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)CC1(N)CCC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-2-7-15-9-11)16-12(17)8-13(14)5-3-6-13/h2,4,7,9-10H,3,5-6,8,14H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyBWWMXGDYNWQXCX-JTQLQIEISA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (CID 81405144) is 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is C[C@H](NC(=O)CC1(N)CCC1)c1cccnc1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is BWWMXGDYNWQXCX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-4-2-7-15-9-11)16-12(17)8-13(14)5-3-6-13/h2,4,7,9-10H,3,5-6,8,14H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 81405144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).