(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

C13H24N2O — CID 78995759

IUPAC(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESC[C@H](N)C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C13H24N2O/c1-8(14)10(16)15-11-12(2,3)9-5-6-13(11,4)7-9/h8-9,11H,5-7,14H2,1-4H3,(H,15,16)/t8-,9?,11?,13?/m0/s1
InChIKeyUAOIDRYLKJKIPK-QDRXEPFXSA-N
MW224.35 g/mol
LogP1.66
Rot. Bonds2

About (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide

(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (PubChem CID 78995759) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
PubChem CID78995759
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
SMILESC[C@H](N)C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C13H24N2O/c1-8(14)10(16)15-11-12(2,3)9-5-6-13(11,4)7-9/h8-9,11H,5-7,14H2,1-4H3,(H,15,16)/t8-,9?,11?,13?/m0/s1
InChIKeyUAOIDRYLKJKIPK-QDRXEPFXSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide (CID 78995759) is (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is C[C@H](N)C(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
The InChIKey is UAOIDRYLKJKIPK-QDRXEPFXSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(14)10(16)15-11-12(2,3)9-5-6-13(11,4)7-9/h8-9,11H,5-7,14H2,1-4H3,(H,15,16)/t8-,9?,11?,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide?
(2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide is sourced from PubChem (CID 78995759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).