2-(2-methoxyethylamino)-3-methylhexanoic acid

C10H21NO3 — CID 62542076

IUPAC2-(2-methoxyethylamino)-3-methylhexanoic acid
SMILESCCCC(C)C(NCCOC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-5-8(2)9(10(12)13)11-6-7-14-3/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyQOCGWJDMXBAZAC-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.11
Rot. Bonds8

About 2-(2-methoxyethylamino)-3-methylhexanoic acid

2-(2-methoxyethylamino)-3-methylhexanoic acid (PubChem CID 62542076) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-3-methylhexanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-3-methylhexanoic acid
PubChem CID62542076
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(2-methoxyethylamino)-3-methylhexanoic acid
SMILESCCCC(C)C(NCCOC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-5-8(2)9(10(12)13)11-6-7-14-3/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyQOCGWJDMXBAZAC-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(2-methoxyethylamino)butanedioic acid
CID 118539637
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
methyl 4-methoxy-2-(2-methoxyethylamino)-3-methylbutanoate
CID 116502084
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
2-(3-methoxypropanoylamino)-3-methylpentanoic acid
CID 60759451
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567522
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-3-methylhexanoic acid?
The IUPAC name of 2-(2-methoxyethylamino)-3-methylhexanoic acid (CID 62542076) is 2-(2-methoxyethylamino)-3-methylhexanoic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-3-methylhexanoic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-3-methylhexanoic acid is CCCC(C)C(NCCOC)C(=O)O.
What is the InChIKey of 2-(2-methoxyethylamino)-3-methylhexanoic acid?
The InChIKey is QOCGWJDMXBAZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-8(2)9(10(12)13)11-6-7-14-3/h8-9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-methoxyethylamino)-3-methylhexanoic acid?
2-(2-methoxyethylamino)-3-methylhexanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-3-methylhexanoic acid is sourced from PubChem (CID 62542076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).