3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride

C10H19ClN2O3 — CID 157326367

IUPAC3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride
SMILESCC1(N)CCCCCCN(C(=O)O)C1=O.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-10(11)6-4-2-3-5-7-12(8(10)13)9(14)15;/h2-7,11H2,1H3,(H,14,15);1H
InChIKeyBETQHRWYMOKEDU-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.60
Rot. Bonds

About 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride

3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride (PubChem CID 157326367) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride
PubChem CID157326367
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Name3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride
SMILESCC1(N)CCCCCCN(C(=O)O)C1=O.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-10(11)6-4-2-3-5-7-12(8(10)13)9(14)15;/h2-7,11H2,1H3,(H,14,15);1H
InChIKeyBETQHRWYMOKEDU-UHFFFAOYSA-N
XLogP1.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride (CID 157326367) is 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride is CC1(N)CCCCCCN(C(=O)O)C1=O.Cl.
What is the InChIKey of 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride?
The InChIKey is BETQHRWYMOKEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-10(11)6-4-2-3-5-7-12(8(10)13)9(14)15;/h2-7,11H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride?
3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-2-oxoazonane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 157326367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).