tert-butyl N-methylcarbamate;3-hydroxypropanoic acid

C9H19NO5 — CID 145293861

IUPACtert-butyl N-methylcarbamate;3-hydroxypropanoic acid
SMILESCNC(=O)OC(C)(C)C.O=C(O)CCO
InChIInChI=1S/C6H13NO2.C3H6O3/c1-6(2,3)9-5(8)7-4;4-2-1-3(5)6/h1-4H3,(H,7,8);4H,1-2H2,(H,5,6)
InChIKeyYFADKUNYXMOCAE-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.59
Rot. Bonds2

About tert-butyl N-methylcarbamate;3-hydroxypropanoic acid

tert-butyl N-methylcarbamate;3-hydroxypropanoic acid (PubChem CID 145293861) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate;3-hydroxypropanoic acid.

Molecular Properties

Compound Nametert-butyl N-methylcarbamate;3-hydroxypropanoic acid
PubChem CID145293861
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Nametert-butyl N-methylcarbamate;3-hydroxypropanoic acid
SMILESCNC(=O)OC(C)(C)C.O=C(O)CCO
InChIInChI=1S/C6H13NO2.C3H6O3/c1-6(2,3)9-5(8)7-4;4-2-1-3(5)6/h1-4H3,(H,7,8);4H,1-2H2,(H,5,6)
InChIKeyYFADKUNYXMOCAE-UHFFFAOYSA-N
XLogP0.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate;3-hydroxypropanoic acid?
The IUPAC name of tert-butyl N-methylcarbamate;3-hydroxypropanoic acid (CID 145293861) is tert-butyl N-methylcarbamate;3-hydroxypropanoic acid.
What is the SMILES notation for tert-butyl N-methylcarbamate;3-hydroxypropanoic acid?
The canonical SMILES for tert-butyl N-methylcarbamate;3-hydroxypropanoic acid is CNC(=O)OC(C)(C)C.O=C(O)CCO.
What is the InChIKey of tert-butyl N-methylcarbamate;3-hydroxypropanoic acid?
The InChIKey is YFADKUNYXMOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C3H6O3/c1-6(2,3)9-5(8)7-4;4-2-1-3(5)6/h1-4H3,(H,7,8);4H,1-2H2,(H,5,6).
What are the key properties of tert-butyl N-methylcarbamate;3-hydroxypropanoic acid?
tert-butyl N-methylcarbamate;3-hydroxypropanoic acid has a molecular weight of 221.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylcarbamate;3-hydroxypropanoic acid is sourced from PubChem (CID 145293861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).