(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate

C9H19NO4 — CID 175396016

IUPAC(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate
SMILESCC(C)(CN)OC(=O)CCOCCO
InChIInChI=1S/C9H19NO4/c1-9(2,7-10)14-8(12)3-5-13-6-4-11/h11H,3-7,10H2,1-2H3
InChIKeyRIRDNTJDUCZTIU-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.33
Rot. Bonds7

About (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate

(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate (PubChem CID 175396016) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate
PubChem CID175396016
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate
SMILESCC(C)(CN)OC(=O)CCOCCO
InChIInChI=1S/C9H19NO4/c1-9(2,7-10)14-8(12)3-5-13-6-4-11/h11H,3-7,10H2,1-2H3
InChIKeyRIRDNTJDUCZTIU-UHFFFAOYSA-N
XLogP-0.33
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.33
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

(1-amino-2-methylpropan-2-yl) 3-aminopropanoate
CID 142053345
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate;3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoic acid
CID 160933856
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
CID 87715215
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl 3-[2-(2-hydroxyethoxymethyl)-2-(methylamino)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
CID 166534434
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl prop-2-enoate;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 158563405
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
CID 166662738

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate (CID 175396016) is (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate is CC(C)(CN)OC(=O)CCOCCO.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate?
The InChIKey is RIRDNTJDUCZTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,7-10)14-8(12)3-5-13-6-4-11/h11H,3-7,10H2,1-2H3.
What are the key properties of (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate?
(1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate has a molecular weight of 205.25 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) 3-(2-hydroxyethoxy)propanoate is sourced from PubChem (CID 175396016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).