(4-aminofuran-3-yl)carbamic acid

C5H6N2O3 — CID 66872728

IUPAC(4-aminofuran-3-yl)carbamic acid
SMILESNc1cocc1NC(=O)O
InChIInChI=1S/C5H6N2O3/c6-3-1-10-2-4(3)7-5(8)9/h1-2,7H,6H2,(H,8,9)
InChIKeyYTLKNXRCSIVMTA-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.95
Rot. Bonds1

About (4-aminofuran-3-yl)carbamic acid

(4-aminofuran-3-yl)carbamic acid (PubChem CID 66872728) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is (4-aminofuran-3-yl)carbamic acid.

Molecular Properties

Compound Name(4-aminofuran-3-yl)carbamic acid
PubChem CID66872728
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name(4-aminofuran-3-yl)carbamic acid
SMILESNc1cocc1NC(=O)O
InChIInChI=1S/C5H6N2O3/c6-3-1-10-2-4(3)7-5(8)9/h1-2,7H,6H2,(H,8,9)
InChIKeyYTLKNXRCSIVMTA-UHFFFAOYSA-N
XLogP0.95
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminofuran-3-yl)carbamic acid?
The IUPAC name of (4-aminofuran-3-yl)carbamic acid (CID 66872728) is (4-aminofuran-3-yl)carbamic acid.
What is the SMILES notation for (4-aminofuran-3-yl)carbamic acid?
The canonical SMILES for (4-aminofuran-3-yl)carbamic acid is Nc1cocc1NC(=O)O.
What is the InChIKey of (4-aminofuran-3-yl)carbamic acid?
The InChIKey is YTLKNXRCSIVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c6-3-1-10-2-4(3)7-5(8)9/h1-2,7H,6H2,(H,8,9).
What are the key properties of (4-aminofuran-3-yl)carbamic acid?
(4-aminofuran-3-yl)carbamic acid has a molecular weight of 142.11 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminofuran-3-yl)carbamic acid is sourced from PubChem (CID 66872728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).