propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate

C10H19NO6 — CID 148823158

IUPACpropan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate
SMILESCC(C)OC(=O)CNCC(C)OC(=O)OCO
InChIInChI=1S/C10H19NO6/c1-7(2)16-9(13)5-11-4-8(3)17-10(14)15-6-12/h7-8,11-12H,4-6H2,1-3H3
InChIKeyOSELHWXWMGMERF-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.02
Rot. Bonds7

About propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate

propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate (PubChem CID 148823158) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate
PubChem CID148823158
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Namepropan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate
SMILESCC(C)OC(=O)CNCC(C)OC(=O)OCO
InChIInChI=1S/C10H19NO6/c1-7(2)16-9(13)5-11-4-8(3)17-10(14)15-6-12/h7-8,11-12H,4-6H2,1-3H3
InChIKeyOSELHWXWMGMERF-UHFFFAOYSA-N
XLogP0.02
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)propan-2-yl propan-2-yl carbonate
CID 79337104
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
propan-2-yl 2-(dimethylphosphorylamino)acetate
CID 130330346
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
CID 106146656
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
propan-2-yl 2-(2-methylsulfanylethylamino)acetate
CID 63964446
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
propan-2-yl 2-[(3-hydroxycyclobutyl)methylamino]acetate
CID 66004857
methyl 2-(2-aminopropylamino)acetate
CID 54010376
methyl 2-(2-methylpropylamino)acetate
CID 22175789

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate?
The IUPAC name of propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate (CID 148823158) is propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate?
The canonical SMILES for propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate is CC(C)OC(=O)CNCC(C)OC(=O)OCO.
What is the InChIKey of propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate?
The InChIKey is OSELHWXWMGMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-7(2)16-9(13)5-11-4-8(3)17-10(14)15-6-12/h7-8,11-12H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate?
propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate has a molecular weight of 249.26 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(hydroxymethoxycarbonyloxy)propylamino]acetate is sourced from PubChem (CID 148823158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).