propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride

C9H18ClNO5 — CID 130300907

IUPACpropan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)OC(=O)OCOC(=O)C(C)(C)N.Cl
InChIInChI=1S/C9H17NO5.ClH/c1-6(2)15-8(12)14-5-13-7(11)9(3,4)10;/h6H,5,10H2,1-4H3;1H
InChIKeyGRMUWBNOOIONCA-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.21
Rot. Bonds4

About propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride

propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 130300907) has the molecular formula C9H18ClNO5 and a molecular weight of 255.70 g/mol. Its IUPAC name is propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride
PubChem CID130300907
Molecular FormulaC9H18ClNO5
Molecular Weight255.70 g/mol
Exact Mass255.09
IUPAC Namepropan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)OC(=O)OCOC(=O)C(C)(C)N.Cl
InChIInChI=1S/C9H17NO5.ClH/c1-6(2)15-8(12)14-5-13-7(11)9(3,4)10;/h6H,5,10H2,1-4H3;1H
InChIKeyGRMUWBNOOIONCA-UHFFFAOYSA-N
XLogP1.21
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride (CID 130300907) is propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride is CC(C)OC(=O)OCOC(=O)C(C)(C)N.Cl.
What is the InChIKey of propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride?
The InChIKey is GRMUWBNOOIONCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5.ClH/c1-6(2)15-8(12)14-5-13-7(11)9(3,4)10;/h6H,5,10H2,1-4H3;1H.
What are the key properties of propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride?
propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 130300907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).