(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide

C12H23N3O — CID 61149354

IUPAC(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C12H23N3O/c1-8(13)12(16)14-7-9-5-10-3-4-11(6-9)15(10)2/h8-11H,3-7,13H2,1-2H3,(H,14,16)/t8-,9?,10?,11?/m0/s1
InChIKeyCIIJZTJFXNDRGK-FBAUCUACSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds3

About (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide

(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide (PubChem CID 61149354) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
PubChem CID61149354
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
SMILESC[C@H](N)C(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C12H23N3O/c1-8(13)12(16)14-7-9-5-10-3-4-11(6-9)15(10)2/h8-11H,3-7,13H2,1-2H3,(H,14,16)/t8-,9?,10?,11?/m0/s1
InChIKeyCIIJZTJFXNDRGK-FBAUCUACSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
CID 61173579
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
CID 54898471
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
CID 66173751

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide (CID 61149354) is (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide is C[C@H](N)C(=O)NCC1CC2CCC(C1)N2C.
What is the InChIKey of (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide?
The InChIKey is CIIJZTJFXNDRGK-FBAUCUACSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(13)12(16)14-7-9-5-10-3-4-11(6-9)15(10)2/h8-11H,3-7,13H2,1-2H3,(H,14,16)/t8-,9?,10?,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide?
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide is sourced from PubChem (CID 61149354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).