3-methyl-2-morpholin-4-ylpent-2-enoic acid

C10H17NO3 — CID 70584595

IUPAC3-methyl-2-morpholin-4-ylpent-2-enoic acid
SMILESCCC(C)=C(C(=O)O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-8(2)9(10(12)13)11-4-6-14-7-5-11/h3-7H2,1-2H3,(H,12,13)
InChIKeyLNULSXZZTMMUPD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.09
Rot. Bonds3

About 3-methyl-2-morpholin-4-ylpent-2-enoic acid

3-methyl-2-morpholin-4-ylpent-2-enoic acid (PubChem CID 70584595) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-ylpent-2-enoic acid.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-ylpent-2-enoic acid
PubChem CID70584595
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-methyl-2-morpholin-4-ylpent-2-enoic acid
SMILESCCC(C)=C(C(=O)O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-3-8(2)9(10(12)13)11-4-6-14-7-5-11/h3-7H2,1-2H3,(H,12,13)
InChIKeyLNULSXZZTMMUPD-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-morpholin-4-ylpent-2-enoic acid?
The IUPAC name of 3-methyl-2-morpholin-4-ylpent-2-enoic acid (CID 70584595) is 3-methyl-2-morpholin-4-ylpent-2-enoic acid.
What is the SMILES notation for 3-methyl-2-morpholin-4-ylpent-2-enoic acid?
The canonical SMILES for 3-methyl-2-morpholin-4-ylpent-2-enoic acid is CCC(C)=C(C(=O)O)N1CCOCC1.
What is the InChIKey of 3-methyl-2-morpholin-4-ylpent-2-enoic acid?
The InChIKey is LNULSXZZTMMUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8(2)9(10(12)13)11-4-6-14-7-5-11/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-morpholin-4-ylpent-2-enoic acid?
3-methyl-2-morpholin-4-ylpent-2-enoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-morpholin-4-ylpent-2-enoic acid is sourced from PubChem (CID 70584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).