(E)-10-(methylamino)-10-oxodec-4-enoic acid

C11H19NO3 — CID 101108631

IUPAC(E)-10-(methylamino)-10-oxodec-4-enoic acid
SMILESCNC(=O)CCCC/C=C/CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-12-10(13)8-6-4-2-3-5-7-9-11(14)15/h3,5H,2,4,6-9H2,1H3,(H,12,13)(H,14,15)/b5-3+
InChIKeyGQUKEGXHMWITHA-HWKANZROSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds8

About (E)-10-(methylamino)-10-oxodec-4-enoic acid

(E)-10-(methylamino)-10-oxodec-4-enoic acid (PubChem CID 101108631) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-10-(methylamino)-10-oxodec-4-enoic acid.

Molecular Properties

Compound Name(E)-10-(methylamino)-10-oxodec-4-enoic acid
PubChem CID101108631
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(E)-10-(methylamino)-10-oxodec-4-enoic acid
SMILESCNC(=O)CCCC/C=C/CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-12-10(13)8-6-4-2-3-5-7-9-11(14)15/h3,5H,2,4,6-9H2,1H3,(H,12,13)(H,14,15)/b5-3+
InChIKeyGQUKEGXHMWITHA-HWKANZROSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-octadec-4-enedioic acid
CID 166071490
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
(E)-pentadec-4-enedioic acid
CID 156873655
(Z)-N-methyldec-4-enamide
CID 151338477
(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
icosa-4,10,14-trienoic acid
CID 162425838
docos-4-enoic acid
CID 56621449
(Z)-tetradec-4-enoic acid
CID 5312399

Frequently Asked Questions

What is the IUPAC name of (E)-10-(methylamino)-10-oxodec-4-enoic acid?
The IUPAC name of (E)-10-(methylamino)-10-oxodec-4-enoic acid (CID 101108631) is (E)-10-(methylamino)-10-oxodec-4-enoic acid.
What is the SMILES notation for (E)-10-(methylamino)-10-oxodec-4-enoic acid?
The canonical SMILES for (E)-10-(methylamino)-10-oxodec-4-enoic acid is CNC(=O)CCCC/C=C/CCC(=O)O.
What is the InChIKey of (E)-10-(methylamino)-10-oxodec-4-enoic acid?
The InChIKey is GQUKEGXHMWITHA-HWKANZROSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12-10(13)8-6-4-2-3-5-7-9-11(14)15/h3,5H,2,4,6-9H2,1H3,(H,12,13)(H,14,15)/b5-3+.
What are the key properties of (E)-10-(methylamino)-10-oxodec-4-enoic acid?
(E)-10-(methylamino)-10-oxodec-4-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(methylamino)-10-oxodec-4-enoic acid is sourced from PubChem (CID 101108631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).