(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid

C9H19NO5 — CID 106702905

IUPAC(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
SMILESCOCCOCCOCC[C@@H](N)C(=O)O
InChIInChI=1S/C9H19NO5/c1-13-4-5-15-7-6-14-3-2-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyUHYURPNQFKNRRS-MRVPVSSYSA-N
MW221.25 g/mol
LogP-0.53
Rot. Bonds10

About (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid

(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid (PubChem CID 106702905) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
PubChem CID106702905
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
SMILESCOCCOCCOCC[C@@H](N)C(=O)O
InChIInChI=1S/C9H19NO5/c1-13-4-5-15-7-6-14-3-2-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKeyUHYURPNQFKNRRS-MRVPVSSYSA-N
XLogP-0.53
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
(3S)-3-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-2-one
CID 59672514
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
(2S)-2-amino-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 106702742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid (CID 106702905) is (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid is COCCOCCOCC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
The InChIKey is UHYURPNQFKNRRS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-13-4-5-15-7-6-14-3-2-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid?
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid has a molecular weight of 221.25 g/mol, XLogP of -0.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid is sourced from PubChem (CID 106702905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).