(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid

C15H30N2O7 — CID 20610991

IUPAC(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid
SMILESCOCCOCCOCCOCC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C15H30N2O7/c1-21-6-7-22-8-9-23-10-11-24-12-14(18)17-13(15(19)20)4-2-3-5-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyXIKODIINGREQCF-ZDUSSCGKSA-N
MW350.41 g/mol
LogP-0.62
Rot. Bonds17

About (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid

(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid (PubChem CID 20610991) has the molecular formula C15H30N2O7 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid
PubChem CID20610991
Molecular FormulaC15H30N2O7
Molecular Weight350.41 g/mol
Exact Mass350.21
IUPAC Name(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid
SMILESCOCCOCCOCCOCC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C15H30N2O7/c1-21-6-7-22-8-9-23-10-11-24-12-14(18)17-13(15(19)20)4-2-3-5-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyXIKODIINGREQCF-ZDUSSCGKSA-N
XLogP-0.62
TPSA129.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid (CID 20610991) is (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid is COCCOCCOCCOCC(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid?
The InChIKey is XIKODIINGREQCF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O7/c1-21-6-7-22-8-9-23-10-11-24-12-14(18)17-13(15(19)20)4-2-3-5-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid?
(2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid has a molecular weight of 350.41 g/mol, XLogP of -0.62, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]amino]hexanoic acid is sourced from PubChem (CID 20610991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).