4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid

C13H22N2O3 — CID 64888968

IUPAC4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C13H22N2O3/c14-11(3-4-12(16)17)13(18)15-7-10-6-8-1-2-9(10)5-8/h8-11H,1-7,14H2,(H,15,18)(H,16,17)
InChIKeyFOGXAZPKWWTKFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.73
Rot. Bonds6

About 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid

4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid (PubChem CID 64888968) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
PubChem CID64888968
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C13H22N2O3/c14-11(3-4-12(16)17)13(18)15-7-10-6-8-1-2-9(10)5-8/h8-11H,1-7,14H2,(H,15,18)(H,16,17)
InChIKeyFOGXAZPKWWTKFS-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 64889744
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
CID 64888191
4-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007519
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid (CID 64888968) is 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid?
The InChIKey is FOGXAZPKWWTKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-11(3-4-12(16)17)13(18)15-7-10-6-8-1-2-9(10)5-8/h8-11H,1-7,14H2,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid?
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 64888968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).