N-(1,3,4-trihydroxybutan-2-yl)formamide

C5H11NO4 — CID 54365675

IUPACN-(1,3,4-trihydroxybutan-2-yl)formamide
SMILESO=CNC(CO)C(O)CO
InChIInChI=1S/C5H11NO4/c7-1-4(6-3-9)5(10)2-8/h3-5,7-8,10H,1-2H2,(H,6,9)
InChIKeyQAMUCHVOWSVLHO-UHFFFAOYSA-N
MW149.15 g/mol
LogP-2.55
Rot. Bonds5

About N-(1,3,4-trihydroxybutan-2-yl)formamide

N-(1,3,4-trihydroxybutan-2-yl)formamide (PubChem CID 54365675) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is N-(1,3,4-trihydroxybutan-2-yl)formamide.

Molecular Properties

Compound NameN-(1,3,4-trihydroxybutan-2-yl)formamide
PubChem CID54365675
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC NameN-(1,3,4-trihydroxybutan-2-yl)formamide
SMILESO=CNC(CO)C(O)CO
InChIInChI=1S/C5H11NO4/c7-1-4(6-3-9)5(10)2-8/h3-5,7-8,10H,1-2H2,(H,6,9)
InChIKeyQAMUCHVOWSVLHO-UHFFFAOYSA-N
XLogP-2.55
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-trihydroxybutan-2-yl)formamide?
The IUPAC name of N-(1,3,4-trihydroxybutan-2-yl)formamide (CID 54365675) is N-(1,3,4-trihydroxybutan-2-yl)formamide.
What is the SMILES notation for N-(1,3,4-trihydroxybutan-2-yl)formamide?
The canonical SMILES for N-(1,3,4-trihydroxybutan-2-yl)formamide is O=CNC(CO)C(O)CO.
What is the InChIKey of N-(1,3,4-trihydroxybutan-2-yl)formamide?
The InChIKey is QAMUCHVOWSVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-1-4(6-3-9)5(10)2-8/h3-5,7-8,10H,1-2H2,(H,6,9).
What are the key properties of N-(1,3,4-trihydroxybutan-2-yl)formamide?
N-(1,3,4-trihydroxybutan-2-yl)formamide has a molecular weight of 149.15 g/mol, XLogP of -2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-trihydroxybutan-2-yl)formamide is sourced from PubChem (CID 54365675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).