3-amino-5-(methoxymethoxy)pentanoic acid

C7H15NO4 — CID 87227923

IUPAC3-amino-5-(methoxymethoxy)pentanoic acid
SMILESCOCOCCC(N)CC(=O)O
InChIInChI=1S/C7H15NO4/c1-11-5-12-3-2-6(8)4-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyJZVVKZVBBLWNTR-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.20
Rot. Bonds7

About 3-amino-5-(methoxymethoxy)pentanoic acid

3-amino-5-(methoxymethoxy)pentanoic acid (PubChem CID 87227923) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-amino-5-(methoxymethoxy)pentanoic acid.

Molecular Properties

Compound Name3-amino-5-(methoxymethoxy)pentanoic acid
PubChem CID87227923
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name3-amino-5-(methoxymethoxy)pentanoic acid
SMILESCOCOCCC(N)CC(=O)O
InChIInChI=1S/C7H15NO4/c1-11-5-12-3-2-6(8)4-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyJZVVKZVBBLWNTR-UHFFFAOYSA-N
XLogP-0.20
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol
CID 90868246
azane;3,5-diaminopentanoic acid
CID 173202896
3-aminononanoic acid
CID 2832746
(3R)-3-amino-5-methylselanylpentanoic acid
CID 122173769
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
2-amino-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104567674
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
3,7-diaminoheptanoic acid
CID 4695301

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(methoxymethoxy)pentanoic acid?
The IUPAC name of 3-amino-5-(methoxymethoxy)pentanoic acid (CID 87227923) is 3-amino-5-(methoxymethoxy)pentanoic acid.
What is the SMILES notation for 3-amino-5-(methoxymethoxy)pentanoic acid?
The canonical SMILES for 3-amino-5-(methoxymethoxy)pentanoic acid is COCOCCC(N)CC(=O)O.
What is the InChIKey of 3-amino-5-(methoxymethoxy)pentanoic acid?
The InChIKey is JZVVKZVBBLWNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-11-5-12-3-2-6(8)4-7(9)10/h6H,2-5,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-5-(methoxymethoxy)pentanoic acid?
3-amino-5-(methoxymethoxy)pentanoic acid has a molecular weight of 177.20 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(methoxymethoxy)pentanoic acid is sourced from PubChem (CID 87227923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).