(3R,6R)-3-amino-6-methylazepan-2-one

C7H14N2O — CID 129453135

IUPAC(3R,6R)-3-amino-6-methylazepan-2-one
SMILESC[C@@H]1CC[C@@H](N)C(=O)NC1
InChIInChI=1S/C7H14N2O/c1-5-2-3-6(8)7(10)9-4-5/h5-6H,2-4,8H2,1H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyUSDDKKNPFIIEHD-PHDIDXHHSA-N
MW142.20 g/mol
LogP-0.14
Rot. Bonds

About (3R,6R)-3-amino-6-methylazepan-2-one

(3R,6R)-3-amino-6-methylazepan-2-one (PubChem CID 129453135) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,6R)-3-amino-6-methylazepan-2-one.

Molecular Properties

Compound Name(3R,6R)-3-amino-6-methylazepan-2-one
PubChem CID129453135
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3R,6R)-3-amino-6-methylazepan-2-one
SMILESC[C@@H]1CC[C@@H](N)C(=O)NC1
InChIInChI=1S/C7H14N2O/c1-5-2-3-6(8)7(10)9-4-5/h5-6H,2-4,8H2,1H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyUSDDKKNPFIIEHD-PHDIDXHHSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-amino-6-methylazepan-2-one?
The IUPAC name of (3R,6R)-3-amino-6-methylazepan-2-one (CID 129453135) is (3R,6R)-3-amino-6-methylazepan-2-one.
What is the SMILES notation for (3R,6R)-3-amino-6-methylazepan-2-one?
The canonical SMILES for (3R,6R)-3-amino-6-methylazepan-2-one is C[C@@H]1CC[C@@H](N)C(=O)NC1.
What is the InChIKey of (3R,6R)-3-amino-6-methylazepan-2-one?
The InChIKey is USDDKKNPFIIEHD-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-2-3-6(8)7(10)9-4-5/h5-6H,2-4,8H2,1H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of (3R,6R)-3-amino-6-methylazepan-2-one?
(3R,6R)-3-amino-6-methylazepan-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-amino-6-methylazepan-2-one is sourced from PubChem (CID 129453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).