(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide

C13H25N3O3 — CID 120931039

IUPAC(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-9-11(14-7-8-19-9)12(18)15-6-5-10(17)16-13(2,3)4/h9,11,14H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-,11+/m1/s1
InChIKeyIZRLWYRQLABBLR-KOLCDFICSA-N
MW271.36 g/mol
LogP-0.22
Rot. Bonds4

About (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120931039) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
PubChem CID120931039
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-9-11(14-7-8-19-9)12(18)15-6-5-10(17)16-13(2,3)4/h9,11,14H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-,11+/m1/s1
InChIKeyIZRLWYRQLABBLR-KOLCDFICSA-N
XLogP-0.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride
CID 120940744
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120929440
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
N,2-dimethylmorpholine-3-carboxamide
CID 131024914

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide (CID 120931039) is (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)NC(C)(C)C.
What is the InChIKey of (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is IZRLWYRQLABBLR-KOLCDFICSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9-11(14-7-8-19-9)12(18)15-6-5-10(17)16-13(2,3)4/h9,11,14H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-,11+/m1/s1.
What are the key properties of (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120931039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).