(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride

C12H22ClN3O3 — CID 120922098

IUPAC(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCCNC1=O.Cl
InChIInChI=1S/C12H21N3O3.ClH/c1-8-10(13-6-7-18-8)12(17)15-9-4-2-3-5-14-11(9)16;/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17);1H/t8-,9?,10+;/m1./s1
InChIKeyDMPZZDIBMUVIHZ-NKUWADJFSA-N
MW291.78 g/mol
LogP-0.43
Rot. Bonds2

About (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120922098) has the molecular formula C12H22ClN3O3 and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID120922098
Molecular FormulaC12H22ClN3O3
Molecular Weight291.78 g/mol
Exact Mass291.13
IUPAC Name(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCCCNC1=O.Cl
InChIInChI=1S/C12H21N3O3.ClH/c1-8-10(13-6-7-18-8)12(17)15-9-4-2-3-5-14-11(9)16;/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17);1H/t8-,9?,10+;/m1./s1
InChIKeyDMPZZDIBMUVIHZ-NKUWADJFSA-N
XLogP-0.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
(2R,3S)-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918838
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
(2R,3S)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937589
N-(2-oxopiperidin-3-yl)morpholine-2-carboxamide
CID 62092732
(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride (CID 120922098) is (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CCCCNC1=O.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is DMPZZDIBMUVIHZ-NKUWADJFSA-N. The full InChI is InChI=1S/C12H21N3O3.ClH/c1-8-10(13-6-7-18-8)12(17)15-9-4-2-3-5-14-11(9)16;/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17);1H/t8-,9?,10+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(2-oxoazepan-3-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120922098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).