ethyl carbamate;2-hydroxybutanoic acid

C7H15NO5 — CID 118110329

IUPACethyl carbamate;2-hydroxybutanoic acid
SMILESCCC(O)C(=O)O.CCOC(N)=O
InChIInChI=1S/C4H8O3.C3H7NO2/c1-2-3(5)4(6)7;1-2-6-3(4)5/h3,5H,2H2,1H3,(H,6,7);2H2,1H3,(H2,4,5)
InChIKeyQUNKPFPJCOSNAC-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.06
Rot. Bonds3

About ethyl carbamate;2-hydroxybutanoic acid

ethyl carbamate;2-hydroxybutanoic acid (PubChem CID 118110329) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl carbamate;2-hydroxybutanoic acid.

Molecular Properties

Compound Nameethyl carbamate;2-hydroxybutanoic acid
PubChem CID118110329
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Nameethyl carbamate;2-hydroxybutanoic acid
SMILESCCC(O)C(=O)O.CCOC(N)=O
InChIInChI=1S/C4H8O3.C3H7NO2/c1-2-3(5)4(6)7;1-2-6-3(4)5/h3,5H,2H2,1H3,(H,6,7);2H2,1H3,(H2,4,5)
InChIKeyQUNKPFPJCOSNAC-UHFFFAOYSA-N
XLogP-0.06
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;2-hydroxybutanoic acid?
The IUPAC name of ethyl carbamate;2-hydroxybutanoic acid (CID 118110329) is ethyl carbamate;2-hydroxybutanoic acid.
What is the SMILES notation for ethyl carbamate;2-hydroxybutanoic acid?
The canonical SMILES for ethyl carbamate;2-hydroxybutanoic acid is CCC(O)C(=O)O.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;2-hydroxybutanoic acid?
The InChIKey is QUNKPFPJCOSNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H7NO2/c1-2-3(5)4(6)7;1-2-6-3(4)5/h3,5H,2H2,1H3,(H,6,7);2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;2-hydroxybutanoic acid?
ethyl carbamate;2-hydroxybutanoic acid has a molecular weight of 193.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;2-hydroxybutanoic acid is sourced from PubChem (CID 118110329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).