(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide

C13H22N2O — CID 103798202

IUPAC(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H22N2O/c1-6(2)11(14)13(16)15-12-9-7-3-4-8(5-7)10(9)12/h6-12H,3-5,14H2,1-2H3,(H,15,16)/t7?,8?,9?,10?,11-,12?/m0/s1
InChIKeyXYYMZHVXWLKGAA-FMBFNZMWSA-N
MW222.33 g/mol
LogP1.13
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide

(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide (PubChem CID 103798202) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
PubChem CID103798202
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C13H22N2O/c1-6(2)11(14)13(16)15-12-9-7-3-4-8(5-7)10(9)12/h6-12H,3-5,14H2,1-2H3,(H,15,16)/t7?,8?,9?,10?,11-,12?/m0/s1
InChIKeyXYYMZHVXWLKGAA-FMBFNZMWSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 103767079
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
(2R)-2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
CID 79011363
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 106114303
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide (CID 103798202) is (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide is CC(C)[C@H](N)C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide?
The InChIKey is XYYMZHVXWLKGAA-FMBFNZMWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-6(2)11(14)13(16)15-12-9-7-3-4-8(5-7)10(9)12/h6-12H,3-5,14H2,1-2H3,(H,15,16)/t7?,8?,9?,10?,11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide?
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide has a molecular weight of 222.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide is sourced from PubChem (CID 103798202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).