(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one

C10H20N2O2 — CID 130485488

IUPAC(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCCC1CN(C(=O)[C@@H](C)N)CCCO1
InChIInChI=1S/C10H20N2O2/c1-3-9-7-12(5-4-6-14-9)10(13)8(2)11/h8-9H,3-7,11H2,1-2H3/t8-,9?/m1/s1
InChIKeyGPSQOUOZOZZLKV-VEDVMXKPSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds2

About (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one

(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one (PubChem CID 130485488) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
PubChem CID130485488
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCCC1CN(C(=O)[C@@H](C)N)CCCO1
InChIInChI=1S/C10H20N2O2/c1-3-9-7-12(5-4-6-14-9)10(13)8(2)11/h8-9H,3-7,11H2,1-2H3/t8-,9?/m1/s1
InChIKeyGPSQOUOZOZZLKV-VEDVMXKPSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)-4-methoxybutan-1-one
CID 114218401
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
2-chloro-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 130485475
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propan-2-ylamino)propan-1-one
CID 114218404
2-amino-1-(2-ethylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120984960
(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
CID 95153981
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
(4-aminocyclohexyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218405
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
2-[(2-ethyl-1,4-oxazepane-4-carbonyl)amino]-3-methylbutanoic acid
CID 114218615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one (CID 130485488) is (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one is CCC1CN(C(=O)[C@@H](C)N)CCCO1.
What is the InChIKey of (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one?
The InChIKey is GPSQOUOZOZZLKV-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9-7-12(5-4-6-14-9)10(13)8(2)11/h8-9H,3-7,11H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one?
(2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)propan-1-one is sourced from PubChem (CID 130485488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).