(4-hydroxyoxolan-2-yl)methylcarbamic acid

C6H11NO4 — CID 67650240

IUPAC(4-hydroxyoxolan-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1CC(O)CO1
InChIInChI=1S/C6H11NO4/c8-4-1-5(11-3-4)2-7-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyZQONBGZOSFSZMC-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.60
Rot. Bonds2

About (4-hydroxyoxolan-2-yl)methylcarbamic acid

(4-hydroxyoxolan-2-yl)methylcarbamic acid (PubChem CID 67650240) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (4-hydroxyoxolan-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-hydroxyoxolan-2-yl)methylcarbamic acid
PubChem CID67650240
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(4-hydroxyoxolan-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1CC(O)CO1
InChIInChI=1S/C6H11NO4/c8-4-1-5(11-3-4)2-7-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyZQONBGZOSFSZMC-UHFFFAOYSA-N
XLogP-0.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyoxolan-2-yl)methylcarbamic acid?
The IUPAC name of (4-hydroxyoxolan-2-yl)methylcarbamic acid (CID 67650240) is (4-hydroxyoxolan-2-yl)methylcarbamic acid.
What is the SMILES notation for (4-hydroxyoxolan-2-yl)methylcarbamic acid?
The canonical SMILES for (4-hydroxyoxolan-2-yl)methylcarbamic acid is O=C(O)NCC1CC(O)CO1.
What is the InChIKey of (4-hydroxyoxolan-2-yl)methylcarbamic acid?
The InChIKey is ZQONBGZOSFSZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-4-1-5(11-3-4)2-7-6(9)10/h4-5,7-8H,1-3H2,(H,9,10).
What are the key properties of (4-hydroxyoxolan-2-yl)methylcarbamic acid?
(4-hydroxyoxolan-2-yl)methylcarbamic acid has a molecular weight of 161.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyoxolan-2-yl)methylcarbamic acid is sourced from PubChem (CID 67650240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).