2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate

C7H15NO4 — CID 131864159

IUPAC2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCCOCCO
InChIInChI=1S/C7H15NO4/c1-6(8)7(10)12-5-4-11-3-2-9/h6,9H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyFDBRFSOPKVOERF-LURJTMIESA-N
MW177.20 g/mol
LogP-1.11
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate

2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate (PubChem CID 131864159) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
PubChem CID131864159
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCCOCCO
InChIInChI=1S/C7H15NO4/c1-6(8)7(10)12-5-4-11-3-2-9/h6,9H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyFDBRFSOPKVOERF-LURJTMIESA-N
XLogP-1.11
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-(2-hydroxyethoxy)ethyl 2-amino-4-hydroxypentanoate
CID 156687732
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
4-(3-aminopropoxy)butan-1-ol;3-aminopropyl 2-aminopropanoate
CID 90107808
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate (CID 131864159) is 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate?
The InChIKey is FDBRFSOPKVOERF-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO4/c1-6(8)7(10)12-5-4-11-3-2-9/h6,9H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate?
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate has a molecular weight of 177.20 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate is sourced from PubChem (CID 131864159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).