4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride

C11H21ClN2O2 — CID 120562894

IUPAC4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC1CC2CCC1O2.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-7(12)2-5-11(14)13-9-6-8-3-4-10(9)15-8;/h7-10H,2-6,12H2,1H3,(H,13,14);1H
InChIKeyKQOZUBUVJOXJIW-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride

4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride (PubChem CID 120562894) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
PubChem CID120562894
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC1CC2CCC1O2.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-7(12)2-5-11(14)13-9-6-8-3-4-10(9)15-8;/h7-10H,2-6,12H2,1H3,(H,13,14);1H
InChIKeyKQOZUBUVJOXJIW-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
CID 80714519
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
CID 80602124
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
CID 120992551
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
(2S)-2-amino-3,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80721257
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
CID 80717636
2-carbamothioyl-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80719880

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride (CID 120562894) is 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride is CC(N)CCC(=O)NC1CC2CCC1O2.Cl.
What is the InChIKey of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride?
The InChIKey is KQOZUBUVJOXJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-7(12)2-5-11(14)13-9-6-8-3-4-10(9)15-8;/h7-10H,2-6,12H2,1H3,(H,13,14);1H.
What are the key properties of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride?
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120562894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).