2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid

C11H23NO4 — CID 106806761

IUPAC2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
SMILESCCC(N)(CCCOCCCOC)C(=O)O
InChIInChI=1S/C11H23NO4/c1-3-11(12,10(13)14)6-4-8-16-9-5-7-15-2/h3-9,12H2,1-2H3,(H,13,14)
InChIKeyXUOJTNYUHLFJDA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.01
Rot. Bonds10

About 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid

2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid (PubChem CID 106806761) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
PubChem CID106806761
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
SMILESCCC(N)(CCCOCCCOC)C(=O)O
InChIInChI=1S/C11H23NO4/c1-3-11(12,10(13)14)6-4-8-16-9-5-7-15-2/h3-9,12H2,1-2H3,(H,13,14)
InChIKeyXUOJTNYUHLFJDA-UHFFFAOYSA-N
XLogP1.01
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
CID 106806735
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
CID 106807179
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
3-ethyl-1-(3-methoxypropoxy)pentan-3-amine
CID 103184740
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
3-(2-methoxyethoxy)propyl 2-amino-2-methylbutanoate
CID 103403485
2-(3-methoxypropoxy)ethyl 2-amino-2-methylpentanoate
CID 103178593
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid (CID 106806761) is 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid is CCC(N)(CCCOCCCOC)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid?
The InChIKey is XUOJTNYUHLFJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-11(12,10(13)14)6-4-8-16-9-5-7-15-2/h3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid?
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid has a molecular weight of 233.31 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid is sourced from PubChem (CID 106806761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).