(E,2R)-2-amino-2-methyldec-6-enoic acid

C11H21NO2 — CID 102601562

IUPAC(E,2R)-2-amino-2-methyldec-6-enoic acid
SMILESCCC/C=C/CCC[C@@](C)(N)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-6H,3-4,7-9,12H2,1-2H3,(H,13,14)/b6-5+/t11-/m1/s1
InChIKeyCYLFNEXDLUCGPA-MVIFTORASA-N
MW199.29 g/mol
LogP2.32
Rot. Bonds7

About (E,2R)-2-amino-2-methyldec-6-enoic acid

(E,2R)-2-amino-2-methyldec-6-enoic acid (PubChem CID 102601562) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E,2R)-2-amino-2-methyldec-6-enoic acid.

Molecular Properties

Compound Name(E,2R)-2-amino-2-methyldec-6-enoic acid
PubChem CID102601562
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E,2R)-2-amino-2-methyldec-6-enoic acid
SMILESCCC/C=C/CCC[C@@](C)(N)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-6H,3-4,7-9,12H2,1-2H3,(H,13,14)/b6-5+/t11-/m1/s1
InChIKeyCYLFNEXDLUCGPA-MVIFTORASA-N
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.32
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

2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
(2R)-2-amino-2-methyldec-4-enoic acid
CID 87131405
(E)-2-amino-2-methylhept-3-enoic acid
CID 87097454
2-amino-2-methyldec-9-enoic acid
CID 76833646
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
2-amino-2-pent-1-enylhept-3-enoic acid
CID 155213302
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
CID 146620095
2-amino-2-methyl-3-oxoicos-11-enoic acid
CID 173291281
(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
CID 176739727

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-2-methyldec-6-enoic acid?
The IUPAC name of (E,2R)-2-amino-2-methyldec-6-enoic acid (CID 102601562) is (E,2R)-2-amino-2-methyldec-6-enoic acid.
What is the SMILES notation for (E,2R)-2-amino-2-methyldec-6-enoic acid?
The canonical SMILES for (E,2R)-2-amino-2-methyldec-6-enoic acid is CCC/C=C/CCC[C@@](C)(N)C(=O)O.
What is the InChIKey of (E,2R)-2-amino-2-methyldec-6-enoic acid?
The InChIKey is CYLFNEXDLUCGPA-MVIFTORASA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-6H,3-4,7-9,12H2,1-2H3,(H,13,14)/b6-5+/t11-/m1/s1.
What are the key properties of (E,2R)-2-amino-2-methyldec-6-enoic acid?
(E,2R)-2-amino-2-methyldec-6-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-amino-2-methyldec-6-enoic acid is sourced from PubChem (CID 102601562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).