(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid

C10H17NO3 — CID 19881474

IUPAC(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid
SMILESC/C(=C\C(C)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)7-9(2)11-3-5-14-6-4-11/h7,9H,3-6H2,1-2H3,(H,12,13)/b8-7+
InChIKeyOWXNQIUOKYEXBI-BQYQJAHWSA-N
MW199.25 g/mol
LogP0.74
Rot. Bonds3

About (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid

(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid (PubChem CID 19881474) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid
PubChem CID19881474
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid
SMILESC/C(=C\C(C)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-8(10(12)13)7-9(2)11-3-5-14-6-4-11/h7,9H,3-6H2,1-2H3,(H,12,13)/b8-7+
InChIKeyOWXNQIUOKYEXBI-BQYQJAHWSA-N
XLogP0.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-5-morpholin-4-ylpent-2-enoic acid
CID 19428816
5-[Bis(2-methoxyethyl)amino]-2-methylpent-2-enoic acid
CID 57073490
2-Methyl-4-morpholin-4-ylbut-2-enoic acid
CID 57205769
2-Methyl-5-morpholin-4-ylpent-2-enoic acid
CID 57216518
2-Methyl-3-morpholin-4-ylpent-2-enoic acid
CID 57252066
(E)-2-methyl-3-morpholin-4-ylpent-2-enoic acid
CID 66586719
2-Methyl-4-morpholin-4-ylpent-2-enoic acid
CID 66586720
2-Methylpent-2-enoic acid;morpholine
CID 66887460
5-Hydroxy-2-methylpent-2-enoic acid;2-methyl-5-morpholin-4-ylpent-2-enoic acid
CID 67637268
(2E)-2-methyl-3-morpholin-4-ylhexa-2,5-dienoic acid
CID 69340388
2-Methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
CID 69340391
(E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
CID 87517833

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid?
The IUPAC name of (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid (CID 19881474) is (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid?
The canonical SMILES for (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid is C/C(=C\C(C)N1CCOCC1)C(=O)O.
What is the InChIKey of (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid?
The InChIKey is OWXNQIUOKYEXBI-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(10(12)13)7-9(2)11-3-5-14-6-4-11/h7,9H,3-6H2,1-2H3,(H,12,13)/b8-7+.
What are the key properties of (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid?
(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid is sourced from PubChem (CID 19881474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).