(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide

C9H19N3O2 — CID 131110844

IUPAC(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
SMILESCC(N)CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C9H19N3O2/c1-6(10)5-12-9(13)8-7(2)14-4-3-11-8/h6-8,11H,3-5,10H2,1-2H3,(H,12,13)/t6?,7-,8+/m1/s1
InChIKeyVMVITBPOIZEATA-VVXQKDJTSA-N
MW201.27 g/mol
LogP-1.17
Rot. Bonds3

About (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide (PubChem CID 131110844) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
PubChem CID131110844
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
SMILESCC(N)CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C9H19N3O2/c1-6(10)5-12-9(13)8-7(2)14-4-3-11-8/h6-8,11H,3-5,10H2,1-2H3,(H,12,13)/t6?,7-,8+/m1/s1
InChIKeyVMVITBPOIZEATA-VVXQKDJTSA-N
XLogP-1.17
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120934792
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939169
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925276
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide (CID 131110844) is (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide is CC(N)CNC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is VMVITBPOIZEATA-VVXQKDJTSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(10)5-12-9(13)8-7(2)14-4-3-11-8/h6-8,11H,3-5,10H2,1-2H3,(H,12,13)/t6?,7-,8+/m1/s1.
What are the key properties of (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 131110844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).