(2-ethoxy-2-oxoethyl)carbamic acid

C5H9NO4 — CID 18800943

IUPAC(2-ethoxy-2-oxoethyl)carbamic acid
SMILESCCOC(=O)CNC(=O)O
InChIInChI=1S/C5H9NO4/c1-2-10-4(7)3-6-5(8)9/h6H,2-3H2,1H3,(H,8,9)
InChIKeyDTMJPALEWBKCAH-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.18
Rot. Bonds3

About (2-ethoxy-2-oxoethyl)carbamic acid

(2-ethoxy-2-oxoethyl)carbamic acid (PubChem CID 18800943) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)carbamic acid
PubChem CID18800943
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2-ethoxy-2-oxoethyl)carbamic acid
SMILESCCOC(=O)CNC(=O)O
InChIInChI=1S/C5H9NO4/c1-2-10-4(7)3-6-5(8)9/h6H,2-3H2,1H3,(H,8,9)
InChIKeyDTMJPALEWBKCAH-UHFFFAOYSA-N
XLogP-0.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)carbamic acid?
The IUPAC name of (2-ethoxy-2-oxoethyl)carbamic acid (CID 18800943) is (2-ethoxy-2-oxoethyl)carbamic acid.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)carbamic acid?
The canonical SMILES for (2-ethoxy-2-oxoethyl)carbamic acid is CCOC(=O)CNC(=O)O.
What is the InChIKey of (2-ethoxy-2-oxoethyl)carbamic acid?
The InChIKey is DTMJPALEWBKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-2-10-4(7)3-6-5(8)9/h6H,2-3H2,1H3,(H,8,9).
What are the key properties of (2-ethoxy-2-oxoethyl)carbamic acid?
(2-ethoxy-2-oxoethyl)carbamic acid has a molecular weight of 147.13 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)carbamic acid is sourced from PubChem (CID 18800943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).