2-amino-2-methyldec-9-enoic acid

C11H21NO2 — CID 76833646

IUPAC2-amino-2-methyldec-9-enoic acid
SMILESC=CCCCCCCC(C)(N)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)
InChIKeyJWZFECWHKQLRGK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.32
Rot. Bonds8

About 2-amino-2-methyldec-9-enoic acid

2-amino-2-methyldec-9-enoic acid (PubChem CID 76833646) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-amino-2-methyldec-9-enoic acid.

Molecular Properties

Compound Name2-amino-2-methyldec-9-enoic acid
PubChem CID76833646
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-amino-2-methyldec-9-enoic acid
SMILESC=CCCCCCCC(C)(N)C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)
InChIKeyJWZFECWHKQLRGK-UHFFFAOYSA-N
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

(2S)-2-amino-2-methyldec-9-enoic acid;(2R)-2-amino-2-methyldec-9-enoic acid;(2S)-2-amino-2-methylhept-6-enoic acid;(2R)-2-amino-2-methylhept-6-enoic acid;2-amino-2-pent-4-enylhept-6-enoic acid;methane
CID 167617525
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
2-amino-2-ethenylnon-8-enoic acid
CID 156562405
2,8-diamino-2-methyloctanoic acid
CID 87814639
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-methyl-2-propyldec-9-enoic acid
CID 151821272
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2-amino-2-pent-4-enylhept-6-enoic acid
CID 87318887
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
2-bromo-2-methylhept-6-enoic acid
CID 14195750

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyldec-9-enoic acid?
The IUPAC name of 2-amino-2-methyldec-9-enoic acid (CID 76833646) is 2-amino-2-methyldec-9-enoic acid.
What is the SMILES notation for 2-amino-2-methyldec-9-enoic acid?
The canonical SMILES for 2-amino-2-methyldec-9-enoic acid is C=CCCCCCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyldec-9-enoic acid?
The InChIKey is JWZFECWHKQLRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14).
What are the key properties of 2-amino-2-methyldec-9-enoic acid?
2-amino-2-methyldec-9-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyldec-9-enoic acid is sourced from PubChem (CID 76833646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).