(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one

C15H22N2O2 — CID 94907209

IUPAC(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCCO1
InChIInChI=1S/C15H22N2O2/c1-12-11-17(8-5-9-19-12)15(18)14(16)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14-/m1/s1
InChIKeyFZHCWKURUITLMH-TZMCWYRMSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds3

About (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one

(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one (PubChem CID 94907209) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
PubChem CID94907209
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCCO1
InChIInChI=1S/C15H22N2O2/c1-12-11-17(8-5-9-19-12)15(18)14(16)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14-/m1/s1
InChIKeyFZHCWKURUITLMH-TZMCWYRMSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 104904546
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
(2R)-2-amino-1-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-3-phenylpropan-1-one
CID 125152052
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
3-(2-methyl-1,4-oxazepan-4-yl)-3-oxo-2-phenylpropanethioamide
CID 62974925
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
N-[[(2S)-4-[(2R)-2-amino-3-phenylpropanoyl]morpholin-2-yl]methyl]acetamide
CID 124610150
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 61148329
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
(2S)-2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61155949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one (CID 94907209) is (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one is C[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCCO1.
What is the InChIKey of (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one?
The InChIKey is FZHCWKURUITLMH-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-17(8-5-9-19-12)15(18)14(16)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one?
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 94907209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).