2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid

C14H24N2O3 — CID 64583859

IUPAC2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
SMILESCC(=O)NC(CNC(C)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-8(12-6-10-3-4-11(12)5-10)15-7-13(14(18)19)16-9(2)17/h8,10-13,15H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRZCYKAUBHOAAST-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.99
Rot. Bonds6

About 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid

2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid (PubChem CID 64583859) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
PubChem CID64583859
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid
SMILESCC(=O)NC(CNC(C)C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-8(12-6-10-3-4-11(12)5-10)15-7-13(14(18)19)16-9(2)17/h8,10-13,15H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRZCYKAUBHOAAST-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
(2R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]pentanoic acid
CID 107565970
methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-bromopropanoate
CID 103233673
2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
CID 114115133
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60648644
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid?
The IUPAC name of 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid (CID 64583859) is 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid is CC(=O)NC(CNC(C)C1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid?
The InChIKey is RZCYKAUBHOAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-8(12-6-10-3-4-11(12)5-10)15-7-13(14(18)19)16-9(2)17/h8,10-13,15H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid?
2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propanoic acid is sourced from PubChem (CID 64583859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).