6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid

C12H25NO4 — CID 103416672

IUPAC6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
SMILESCOCCOCCCC(CCCCN)C(=O)O
InChIInChI=1S/C12H25NO4/c1-16-9-10-17-8-4-6-11(12(14)15)5-2-3-7-13/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyMNOUMTWPKVJGFY-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.26
Rot. Bonds12

About 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid

6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid (PubChem CID 103416672) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
PubChem CID103416672
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid
SMILESCOCCOCCCC(CCCCN)C(=O)O
InChIInChI=1S/C12H25NO4/c1-16-9-10-17-8-4-6-11(12(14)15)5-2-3-7-13/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyMNOUMTWPKVJGFY-UHFFFAOYSA-N
XLogP1.26
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.26
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-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
2-(2-methoxyethoxy)ethyl 2,6-diaminohexanoate
CID 162501240
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
6-amino-2-(2-hydroxyethyl)hexanoic acid
CID 104681384
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276
6-amino-2-ethylhexanoic acid;azane
CID 88821488
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-(2-methoxyethyl)-8-methylnonanoic acid
CID 134561525
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
CID 121219340
5-amino-2-(4-aminobutyl)-4-oxohexanoic acid
CID 158959458

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid?
The IUPAC name of 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid (CID 103416672) is 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid?
The canonical SMILES for 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid is COCCOCCCC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid?
The InChIKey is MNOUMTWPKVJGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-16-9-10-17-8-4-6-11(12(14)15)5-2-3-7-13/h11H,2-10,13H2,1H3,(H,14,15).
What are the key properties of 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid?
6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.26, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-(2-methoxyethoxy)propyl]hexanoic acid is sourced from PubChem (CID 103416672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).