bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate

C16H30N4O10 — CID 175859022

IUPACbis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
SMILESNC(=O)Oc1ccccc1OC(N)=O.NC(CO)(CO)CO.NC(CO)(CO)CO
InChIInChI=1S/C8H8N2O4.2C4H11NO3/c9-7(11)13-5-3-1-2-4-6(5)14-8(10)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,9,11)(H2,10,12);2*6-8H,1-3,5H2
InChIKeyRGGMAOAGBVKZEU-UHFFFAOYSA-N
MW438.43 g/mol
LogP-4.08
Rot. Bonds8

About bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate

bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate (PubChem CID 175859022) has the molecular formula C16H30N4O10 and a molecular weight of 438.43 g/mol. Its IUPAC name is bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate.

Molecular Properties

Compound Namebis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
PubChem CID175859022
Molecular FormulaC16H30N4O10
Molecular Weight438.43 g/mol
Exact Mass438.20
IUPAC Namebis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
SMILESNC(=O)Oc1ccccc1OC(N)=O.NC(CO)(CO)CO.NC(CO)(CO)CO
InChIInChI=1S/C8H8N2O4.2C4H11NO3/c9-7(11)13-5-3-1-2-4-6(5)14-8(10)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,9,11)(H2,10,12);2*6-8H,1-3,5H2
InChIKeyRGGMAOAGBVKZEU-UHFFFAOYSA-N
XLogP-4.08
TPSA278.06 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500438.43
LogP ≤ 5-4.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate?
The IUPAC name of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate (CID 175859022) is bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate.
What is the SMILES notation for bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate?
The canonical SMILES for bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate is NC(=O)Oc1ccccc1OC(N)=O.NC(CO)(CO)CO.NC(CO)(CO)CO.
What is the InChIKey of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate?
The InChIKey is RGGMAOAGBVKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4.2C4H11NO3/c9-7(11)13-5-3-1-2-4-6(5)14-8(10)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,9,11)(H2,10,12);2*6-8H,1-3,5H2.
What are the key properties of bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate?
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate has a molecular weight of 438.43 g/mol, XLogP of -4.08, 8 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate is sourced from PubChem (CID 175859022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).