butanoic acid;methanol;methyl carbamate

C7H17NO5 — CID 144878014

IUPACbutanoic acid;methanol;methyl carbamate
SMILESCCCC(=O)O.CO.COC(N)=O
InChIInChI=1S/C4H8O2.C2H5NO2.CH4O/c1-2-3-4(5)6;1-5-2(3)4;1-2/h2-3H2,1H3,(H,5,6);1H3,(H2,3,4);2H,1H3
InChIKeyFRSRCKUGYOQBQK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.19
Rot. Bonds2

About butanoic acid;methanol;methyl carbamate

butanoic acid;methanol;methyl carbamate (PubChem CID 144878014) has the molecular formula C7H17NO5 and a molecular weight of 195.22 g/mol. Its IUPAC name is butanoic acid;methanol;methyl carbamate.

Molecular Properties

Compound Namebutanoic acid;methanol;methyl carbamate
PubChem CID144878014
Molecular FormulaC7H17NO5
Molecular Weight195.22 g/mol
Exact Mass195.11
IUPAC Namebutanoic acid;methanol;methyl carbamate
SMILESCCCC(=O)O.CO.COC(N)=O
InChIInChI=1S/C4H8O2.C2H5NO2.CH4O/c1-2-3-4(5)6;1-5-2(3)4;1-2/h2-3H2,1H3,(H,5,6);1H3,(H2,3,4);2H,1H3
InChIKeyFRSRCKUGYOQBQK-UHFFFAOYSA-N
XLogP0.19
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butanoic acid;methanol;methyl carbamate?
The IUPAC name of butanoic acid;methanol;methyl carbamate (CID 144878014) is butanoic acid;methanol;methyl carbamate.
What is the SMILES notation for butanoic acid;methanol;methyl carbamate?
The canonical SMILES for butanoic acid;methanol;methyl carbamate is CCCC(=O)O.CO.COC(N)=O.
What is the InChIKey of butanoic acid;methanol;methyl carbamate?
The InChIKey is FRSRCKUGYOQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H5NO2.CH4O/c1-2-3-4(5)6;1-5-2(3)4;1-2/h2-3H2,1H3,(H,5,6);1H3,(H2,3,4);2H,1H3.
What are the key properties of butanoic acid;methanol;methyl carbamate?
butanoic acid;methanol;methyl carbamate has a molecular weight of 195.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;methanol;methyl carbamate is sourced from PubChem (CID 144878014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).