ethyl(2-methoxyethyl)carbamic acid

C6H13NO3 — CID 87314969

IUPACethyl(2-methoxyethyl)carbamic acid
SMILESCCN(CCOC)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-7(6(8)9)4-5-10-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyQBYPSKRXHGGTHH-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.63
Rot. Bonds4

About ethyl(2-methoxyethyl)carbamic acid

ethyl(2-methoxyethyl)carbamic acid (PubChem CID 87314969) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Nameethyl(2-methoxyethyl)carbamic acid
PubChem CID87314969
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl(2-methoxyethyl)carbamic acid
SMILESCCN(CCOC)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-7(6(8)9)4-5-10-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyQBYPSKRXHGGTHH-UHFFFAOYSA-N
XLogP0.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl(2-methoxyethyl)carbamic acid?
The IUPAC name of ethyl(2-methoxyethyl)carbamic acid (CID 87314969) is ethyl(2-methoxyethyl)carbamic acid.
What is the SMILES notation for ethyl(2-methoxyethyl)carbamic acid?
The canonical SMILES for ethyl(2-methoxyethyl)carbamic acid is CCN(CCOC)C(=O)O.
What is the InChIKey of ethyl(2-methoxyethyl)carbamic acid?
The InChIKey is QBYPSKRXHGGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-7(6(8)9)4-5-10-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of ethyl(2-methoxyethyl)carbamic acid?
ethyl(2-methoxyethyl)carbamic acid has a molecular weight of 147.17 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 87314969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).