2-(2-hydroxyethoxy)propylcarbamic acid

C6H13NO4 — CID 87536383

IUPAC2-(2-hydroxyethoxy)propylcarbamic acid
SMILESCC(CNC(=O)O)OCCO
InChIInChI=1S/C6H13NO4/c1-5(11-3-2-8)4-7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyADIMAMBXVGVTJC-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.35
Rot. Bonds5

About 2-(2-hydroxyethoxy)propylcarbamic acid

2-(2-hydroxyethoxy)propylcarbamic acid (PubChem CID 87536383) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)propylcarbamic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)propylcarbamic acid
PubChem CID87536383
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-(2-hydroxyethoxy)propylcarbamic acid
SMILESCC(CNC(=O)O)OCCO
InChIInChI=1S/C6H13NO4/c1-5(11-3-2-8)4-7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyADIMAMBXVGVTJC-UHFFFAOYSA-N
XLogP-0.35
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)propylcarbamic acid?
The IUPAC name of 2-(2-hydroxyethoxy)propylcarbamic acid (CID 87536383) is 2-(2-hydroxyethoxy)propylcarbamic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)propylcarbamic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)propylcarbamic acid is CC(CNC(=O)O)OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)propylcarbamic acid?
The InChIKey is ADIMAMBXVGVTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-5(11-3-2-8)4-7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-(2-hydroxyethoxy)propylcarbamic acid?
2-(2-hydroxyethoxy)propylcarbamic acid has a molecular weight of 163.17 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)propylcarbamic acid is sourced from PubChem (CID 87536383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).