(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid

C11H17NO5 — CID 144653695

IUPAC(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
SMILESC[C@@H](/C=C\C(=O)O)COC(=O)N1CCOCC1
InChIInChI=1S/C11H17NO5/c1-9(2-3-10(13)14)8-17-11(15)12-4-6-16-7-5-12/h2-3,9H,4-8H2,1H3,(H,13,14)/b3-2-/t9-/m0/s1
InChIKeyGPUSPLRYGWAQON-XADBCAIWSA-N
MW243.26 g/mol
LogP0.73
Rot. Bonds4

About (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid

(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid (PubChem CID 144653695) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid.

Molecular Properties

Compound Name(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
PubChem CID144653695
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
SMILESC[C@@H](/C=C\C(=O)O)COC(=O)N1CCOCC1
InChIInChI=1S/C11H17NO5/c1-9(2-3-10(13)14)8-17-11(15)12-4-6-16-7-5-12/h2-3,9H,4-8H2,1H3,(H,13,14)/b3-2-/t9-/m0/s1
InChIKeyGPUSPLRYGWAQON-XADBCAIWSA-N
XLogP0.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxybutyl morpholine-4-carboxylate;methane
CID 158189157
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125
4-(2-morpholin-4-yl-2-oxoethoxy)-4-oxobut-2-enoic acid
CID 67281689
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
methyl 2-formyl-3-morpholin-4-ylbut-3-enoate
CID 134987414
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
methyl morpholine-4-carboxylate
CID 12575354
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
2-aminopropyl pyrrolidine-1-carboxylate
CID 175158579

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid?
The IUPAC name of (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid (CID 144653695) is (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid.
What is the SMILES notation for (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid?
The canonical SMILES for (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid is C[C@@H](/C=C\C(=O)O)COC(=O)N1CCOCC1.
What is the InChIKey of (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid?
The InChIKey is GPUSPLRYGWAQON-XADBCAIWSA-N. The full InChI is InChI=1S/C11H17NO5/c1-9(2-3-10(13)14)8-17-11(15)12-4-6-16-7-5-12/h2-3,9H,4-8H2,1H3,(H,13,14)/b3-2-/t9-/m0/s1.
What are the key properties of (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid?
(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid is sourced from PubChem (CID 144653695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).