2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate

C9H19NO5 — CID 156687732

IUPAC2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
SMILESCC(O)CC(N)C(=O)OCCOCCO
InChIInChI=1S/C9H19NO5/c1-7(12)6-8(10)9(13)15-5-4-14-3-2-11/h7-8,11-12H,2-6,10H2,1H3
InChIKeyAJRBPKIOZKDHGY-UHFFFAOYSA-N
MW221.25 g/mol
LogP-1.36
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate

2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate (PubChem CID 156687732) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
PubChem CID156687732
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
SMILESCC(O)CC(N)C(=O)OCCOCCO
InChIInChI=1S/C9H19NO5/c1-7(12)6-8(10)9(13)15-5-4-14-3-2-11/h7-8,11-12H,2-6,10H2,1H3
InChIKeyAJRBPKIOZKDHGY-UHFFFAOYSA-N
XLogP-1.36
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
CID 104563663

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate (CID 156687732) is 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate is CC(O)CC(N)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate?
The InChIKey is AJRBPKIOZKDHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-7(12)6-8(10)9(13)15-5-4-14-3-2-11/h7-8,11-12H,2-6,10H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate?
2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate has a molecular weight of 221.25 g/mol, XLogP of -1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate is sourced from PubChem (CID 156687732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).