3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C14H24N2O4 — CID 81101695

IUPAC3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCCCC(N)C(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-20-6-2-3-10(15)13(17)16-12-9-5-4-8(7-9)11(12)14(18)19/h8-12H,2-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAAZSZCGYUAEZIK-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.36
Rot. Bonds7

About 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 81101695) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID81101695
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCCCC(N)C(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-20-6-2-3-10(15)13(17)16-12-9-5-4-8(7-9)11(12)14(18)19/h8-12H,2-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAAZSZCGYUAEZIK-UHFFFAOYSA-N
XLogP0.36
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103181327
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
2-amino-N-(2,3-dimethylcyclopentyl)-5-methoxypentanamide
CID 81102327
3-(4-methoxypentanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 113382120
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxypentanamide
CID 107222299
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
CID 81089146

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 81101695) is 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is COCCCC(N)C(=O)NC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is AAZSZCGYUAEZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-6-2-3-10(15)13(17)16-12-9-5-4-8(7-9)11(12)14(18)19/h8-12H,2-7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methoxypentanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 81101695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).