[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate

C8H16N2O3 — CID 175231582

IUPAC[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
SMILESC[C@@H](CN)OC(=O)N1CCOCC1
InChIInChI=1S/C8H16N2O3/c1-7(6-9)13-8(11)10-2-4-12-5-3-10/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyDRMKOBQHSWUVMO-ZETCQYMHSA-N
MW188.23 g/mol
LogP-0.20
Rot. Bonds2

About [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate

[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate (PubChem CID 175231582) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
PubChem CID175231582
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
SMILESC[C@@H](CN)OC(=O)N1CCOCC1
InChIInChI=1S/C8H16N2O3/c1-7(6-9)13-8(11)10-2-4-12-5-3-10/h7H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyDRMKOBQHSWUVMO-ZETCQYMHSA-N
XLogP-0.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)propan-2-yl morpholine-4-carboxylate
CID 79338020
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
2-(1-aminopropan-2-yloxy)-1-morpholin-4-ylethanone
CID 82352680
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157
methyl morpholine-4-carboxylate
CID 12575354
1-(4-bromophenyl)sulfonyloxypropan-2-yl morpholine-4-carboxylate
CID 175355110
ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate
CID 11032564
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate (CID 175231582) is [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate is C[C@@H](CN)OC(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate?
The InChIKey is DRMKOBQHSWUVMO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(6-9)13-8(11)10-2-4-12-5-3-10/h7H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate?
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate has a molecular weight of 188.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 175231582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).