2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid

C11H19NO3 — CID 102117295

IUPAC2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid
SMILESCCCC/C=C/CC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H19NO3/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15/h6-7H,3-5,8-9H2,1-2H3,(H,14,15)/b7-6+
InChIKeyOZOMKNLKPLJNRO-VOTSOKGWSA-N
MW213.28 g/mol
LogP1.67
Rot. Bonds7

About 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid

2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid (PubChem CID 102117295) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid
PubChem CID102117295
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid
SMILESCCCC/C=C/CC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H19NO3/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15/h6-7H,3-5,8-9H2,1-2H3,(H,14,15)/b7-6+
InChIKeyOZOMKNLKPLJNRO-VOTSOKGWSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
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

sodium 2-[methyl-[(E)-oct-3-enoyl]amino]acetate
CID 102117313
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
2-(methylamino)acetic acid;2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
CID 88510322
(E)-N,N-dimethyldec-3-enamide
CID 11321540
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
dodeca-3,5,7-trienoic acid
CID 151654337
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
CID 175691968
CID 175691968

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid (CID 102117295) is 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid is CCCC/C=C/CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid?
The InChIKey is OZOMKNLKPLJNRO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-5-6-7-8-10(13)12(2)9-11(14)15/h6-7H,3-5,8-9H2,1-2H3,(H,14,15)/b7-6+.
What are the key properties of 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid?
2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-oct-3-enoyl]amino]acetic acid is sourced from PubChem (CID 102117295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).