acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol

C8H19NO5 — CID 86743815

IUPACacetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol
SMILESCC(=O)O.COCC(N)(CO)COC
InChIInChI=1S/C6H15NO3.C2H4O2/c1-9-4-6(7,3-8)5-10-2;1-2(3)4/h8H,3-5,7H2,1-2H3;1H3,(H,3,4)
InChIKeyCRGAQJWXLYMFHS-UHFFFAOYSA-N
MW209.24 g/mol
LogP-0.94
Rot. Bonds5

About acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol

acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol (PubChem CID 86743815) has the molecular formula C8H19NO5 and a molecular weight of 209.24 g/mol. Its IUPAC name is acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol.

Molecular Properties

Compound Nameacetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol
PubChem CID86743815
Molecular FormulaC8H19NO5
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Nameacetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol
SMILESCC(=O)O.COCC(N)(CO)COC
InChIInChI=1S/C6H15NO3.C2H4O2/c1-9-4-6(7,3-8)5-10-2;1-2(3)4/h8H,3-5,7H2,1-2H3;1H3,(H,3,4)
InChIKeyCRGAQJWXLYMFHS-UHFFFAOYSA-N
XLogP-0.94
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol?
The IUPAC name of acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol (CID 86743815) is acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol.
What is the SMILES notation for acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol?
The canonical SMILES for acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol is CC(=O)O.COCC(N)(CO)COC.
What is the InChIKey of acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol?
The InChIKey is CRGAQJWXLYMFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C2H4O2/c1-9-4-6(7,3-8)5-10-2;1-2(3)4/h8H,3-5,7H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol?
acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol has a molecular weight of 209.24 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-3-methoxy-2-(methoxymethyl)propan-1-ol is sourced from PubChem (CID 86743815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).