2-amino-8-methyldecanoic acid

C11H23NO2 — CID 167110003

IUPAC2-amino-8-methyldecanoic acid
SMILESCCC(C)CCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO2/c1-3-9(2)7-5-4-6-8-10(12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyMQVORPHOLYTDHK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.39
Rot. Bonds8

About 2-amino-8-methyldecanoic acid

2-amino-8-methyldecanoic acid (PubChem CID 167110003) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-amino-8-methyldecanoic acid.

Molecular Properties

Compound Name2-amino-8-methyldecanoic acid
PubChem CID167110003
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-amino-8-methyldecanoic acid
SMILESCCC(C)CCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO2/c1-3-9(2)7-5-4-6-8-10(12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyMQVORPHOLYTDHK-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminotetracosanoic acid
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(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-21-methyldocosanoic acid
CID 10926747
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-aminohexadecanoic acid;azane
CID 175267671
(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
CID 89009383
2-amino-9-methyl-8-sulfanylundecanoic acid
CID 141416580
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
2,10,10-triaminodecanoic acid
CID 141091504

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyldecanoic acid?
The IUPAC name of 2-amino-8-methyldecanoic acid (CID 167110003) is 2-amino-8-methyldecanoic acid.
What is the SMILES notation for 2-amino-8-methyldecanoic acid?
The canonical SMILES for 2-amino-8-methyldecanoic acid is CCC(C)CCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-8-methyldecanoic acid?
The InChIKey is MQVORPHOLYTDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-9(2)7-5-4-6-8-10(12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-8-methyldecanoic acid?
2-amino-8-methyldecanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyldecanoic acid is sourced from PubChem (CID 167110003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).