(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one

C11H22N2O2 — CID 94907338

IUPAC(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCOCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-5-10(12)11(14)13-6-4-8-15-9-7-13/h10H,2-9,12H2,1H3/t10-/m0/s1
InChIKeyNNIQPGLBNDGUDG-JTQLQIEISA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one

(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one (PubChem CID 94907338) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
PubChem CID94907338
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCOCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-5-10(12)11(14)13-6-4-8-15-9-7-13/h10H,2-9,12H2,1H3/t10-/m0/s1
InChIKeyNNIQPGLBNDGUDG-JTQLQIEISA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2R)-2-amino-1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-7,8-dihydroxy-1,10-dioxa-5-azacyclotetradec-5-yl]hexan-1-one
CID 175653310
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one (CID 94907338) is (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCCOCC1.
What is the InChIKey of (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one?
The InChIKey is NNIQPGLBNDGUDG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-5-10(12)11(14)13-6-4-8-15-9-7-13/h10H,2-9,12H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one?
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one is sourced from PubChem (CID 94907338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).