2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate

C8H17NO4 — CID 66165395

IUPAC2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate
SMILESCC(C)OCCOC(=O)C(O)CN
InChIInChI=1S/C8H17NO4/c1-6(2)12-3-4-13-8(11)7(10)5-9/h6-7,10H,3-5,9H2,1-2H3
InChIKeyNMDOPCVXJDKCSN-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.73
Rot. Bonds6

About 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate

2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate (PubChem CID 66165395) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate
PubChem CID66165395
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate
SMILESCC(C)OCCOC(=O)C(O)CN
InChIInChI=1S/C8H17NO4/c1-6(2)12-3-4-13-8(11)7(10)5-9/h6-7,10H,3-5,9H2,1-2H3
InChIKeyNMDOPCVXJDKCSN-UHFFFAOYSA-N
XLogP-0.73
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.73
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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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate?
The IUPAC name of 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate (CID 66165395) is 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate is CC(C)OCCOC(=O)C(O)CN.
What is the InChIKey of 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate?
The InChIKey is NMDOPCVXJDKCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(2)12-3-4-13-8(11)7(10)5-9/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate?
2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate has a molecular weight of 191.23 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 66165395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).