2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid

C13H24N2O2 — CID 64581252

IUPAC2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
SMILESCC12CCC(C1)C(C)(C)C2NCC(N)C(=O)O
InChIInChI=1S/C13H24N2O2/c1-12(2)8-4-5-13(3,6-8)11(12)15-7-9(14)10(16)17/h8-9,11,15H,4-7,14H2,1-3H3,(H,16,17)
InChIKeyNOZHFZMKIALOEJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds4

About 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid

2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid (PubChem CID 64581252) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
PubChem CID64581252
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid
SMILESCC12CCC(C1)C(C)(C)C2NCC(N)C(=O)O
InChIInChI=1S/C13H24N2O2/c1-12(2)8-4-5-13(3,6-8)11(12)15-7-9(14)10(16)17/h8-9,11,15H,4-7,14H2,1-3H3,(H,16,17)
InChIKeyNOZHFZMKIALOEJ-UHFFFAOYSA-N
XLogP1.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid (CID 64581252) is 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid is CC12CCC(C1)C(C)(C)C2NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid?
The InChIKey is NOZHFZMKIALOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2)8-4-5-13(3,6-8)11(12)15-7-9(14)10(16)17/h8-9,11,15H,4-7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid?
2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propanoic acid is sourced from PubChem (CID 64581252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).