(3S)-3-amino-1-hydroxyazepan-2-one

C6H12N2O2 — CID 16752816

IUPAC(3S)-3-amino-1-hydroxyazepan-2-one
SMILESN[C@H]1CCCCN(O)C1=O
InChIInChI=1S/C6H12N2O2/c7-5-3-1-2-4-8(10)6(5)9/h5,10H,1-4,7H2/t5-/m0/s1
InChIKeyGNKNFLLAAAQXII-YFKPBYRVSA-N
MW144.17 g/mol
LogP-0.28
Rot. Bonds

About (3S)-3-amino-1-hydroxyazepan-2-one

(3S)-3-amino-1-hydroxyazepan-2-one (PubChem CID 16752816) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxyazepan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxyazepan-2-one
PubChem CID16752816
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3S)-3-amino-1-hydroxyazepan-2-one
SMILESN[C@H]1CCCCN(O)C1=O
InChIInChI=1S/C6H12N2O2/c7-5-3-1-2-4-8(10)6(5)9/h5,10H,1-4,7H2/t5-/m0/s1
InChIKeyGNKNFLLAAAQXII-YFKPBYRVSA-N
XLogP-0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxyazepan-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxyazepan-2-one (CID 16752816) is (3S)-3-amino-1-hydroxyazepan-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxyazepan-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxyazepan-2-one is N[C@H]1CCCCN(O)C1=O.
What is the InChIKey of (3S)-3-amino-1-hydroxyazepan-2-one?
The InChIKey is GNKNFLLAAAQXII-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5-3-1-2-4-8(10)6(5)9/h5,10H,1-4,7H2/t5-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxyazepan-2-one?
(3S)-3-amino-1-hydroxyazepan-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-hydroxyazepan-2-one is sourced from PubChem (CID 16752816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).