(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate

C5H9NO6 — CID 87233218

IUPAC(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
SMILESNC(=O)OC(CO)COC(=O)O
InChIInChI=1S/C5H9NO6/c6-4(8)12-3(1-7)2-11-5(9)10/h3,7H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyVHSWHDIPRVBJJV-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.86
Rot. Bonds4

About (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate

(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate (PubChem CID 87233218) has the molecular formula C5H9NO6 and a molecular weight of 179.13 g/mol. Its IUPAC name is (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
PubChem CID87233218
Molecular FormulaC5H9NO6
Molecular Weight179.13 g/mol
Exact Mass179.04
IUPAC Name(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
SMILESNC(=O)OC(CO)COC(=O)O
InChIInChI=1S/C5H9NO6/c6-4(8)12-3(1-7)2-11-5(9)10/h3,7H,1-2H2,(H2,6,8)(H,9,10)
InChIKeyVHSWHDIPRVBJJV-UHFFFAOYSA-N
XLogP-0.86
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
CID 89414576
[(2S)-1-hydroxypent-4-en-2-yl] carbamate
CID 175099114
(1-carboxyoxy-3-methoxypropan-2-yl) carbonate
CID 19927087
6-[2-(5-carboxypentanoyloxy)-3-hydroxypropoxy]-6-oxohexanoic acid
CID 91057967
(2-acetyloxy-3-hydroxypropyl) 2-hydroxyacetate
CID 58519918
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
[(2R)-1-acetyloxy-3-hydroxypropan-2-yl] 2,2-dimethylpropanoate
CID 102240504
[2-[(Z)-but-2-enoyl]oxy-3-hydroxypropyl] (Z)-but-2-enoate
CID 101312211
(1-carboxyoxy-3-prop-2-enoxypropan-2-yl) hydrogen carbonate
CID 87261802
[3-hydroxy-2-(4-oxopentanoyloxy)propyl] 4-oxopentanoate
CID 87103100
3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid
CID 176832226
magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate
CID 173053155

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate?
The IUPAC name of (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate (CID 87233218) is (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate.
What is the SMILES notation for (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate?
The canonical SMILES for (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate is NC(=O)OC(CO)COC(=O)O.
What is the InChIKey of (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate?
The InChIKey is VHSWHDIPRVBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO6/c6-4(8)12-3(1-7)2-11-5(9)10/h3,7H,1-2H2,(H2,6,8)(H,9,10).
What are the key properties of (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate?
(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate has a molecular weight of 179.13 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate is sourced from PubChem (CID 87233218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).