1-(methylamino)propan-2-yl morpholine-4-carboxylate

C9H18N2O3 — CID 79338020

IUPAC1-(methylamino)propan-2-yl morpholine-4-carboxylate
SMILESCNCC(C)OC(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-8(7-10-2)14-9(12)11-3-5-13-6-4-11/h8,10H,3-7H2,1-2H3
InChIKeyNUEBGGDDXWJRHK-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.06
Rot. Bonds3

About 1-(methylamino)propan-2-yl morpholine-4-carboxylate

1-(methylamino)propan-2-yl morpholine-4-carboxylate (PubChem CID 79338020) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(methylamino)propan-2-yl morpholine-4-carboxylate.

Molecular Properties

Compound Name1-(methylamino)propan-2-yl morpholine-4-carboxylate
PubChem CID79338020
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(methylamino)propan-2-yl morpholine-4-carboxylate
SMILESCNCC(C)OC(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-8(7-10-2)14-9(12)11-3-5-13-6-4-11/h8,10H,3-7H2,1-2H3
InChIKeyNUEBGGDDXWJRHK-UHFFFAOYSA-N
XLogP0.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
methyl morpholine-4-carboxylate
CID 12575354
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
1-(4-bromophenyl)sulfonyloxypropan-2-yl morpholine-4-carboxylate
CID 175355110
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 59414047
N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
[(2S)-6-(phenylmethoxycarbonylamino)hexan-2-yl] morpholine-4-carboxylate
CID 57046611

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propan-2-yl morpholine-4-carboxylate?
The IUPAC name of 1-(methylamino)propan-2-yl morpholine-4-carboxylate (CID 79338020) is 1-(methylamino)propan-2-yl morpholine-4-carboxylate.
What is the SMILES notation for 1-(methylamino)propan-2-yl morpholine-4-carboxylate?
The canonical SMILES for 1-(methylamino)propan-2-yl morpholine-4-carboxylate is CNCC(C)OC(=O)N1CCOCC1.
What is the InChIKey of 1-(methylamino)propan-2-yl morpholine-4-carboxylate?
The InChIKey is NUEBGGDDXWJRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(7-10-2)14-9(12)11-3-5-13-6-4-11/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(methylamino)propan-2-yl morpholine-4-carboxylate?
1-(methylamino)propan-2-yl morpholine-4-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-2-yl morpholine-4-carboxylate is sourced from PubChem (CID 79338020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).