N-(1,3-dihydroxybutan-2-yl)formamide

C5H11NO3 — CID 123985817

IUPACN-(1,3-dihydroxybutan-2-yl)formamide
SMILESCC(O)C(CO)NC=O
InChIInChI=1S/C5H11NO3/c1-4(9)5(2-7)6-3-8/h3-5,7,9H,2H2,1H3,(H,6,8)
InChIKeyUMCMEOMVMZSDHS-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.53
Rot. Bonds4

About N-(1,3-dihydroxybutan-2-yl)formamide

N-(1,3-dihydroxybutan-2-yl)formamide (PubChem CID 123985817) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-(1,3-dihydroxybutan-2-yl)formamide.

Molecular Properties

Compound NameN-(1,3-dihydroxybutan-2-yl)formamide
PubChem CID123985817
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN-(1,3-dihydroxybutan-2-yl)formamide
SMILESCC(O)C(CO)NC=O
InChIInChI=1S/C5H11NO3/c1-4(9)5(2-7)6-3-8/h3-5,7,9H,2H2,1H3,(H,6,8)
InChIKeyUMCMEOMVMZSDHS-UHFFFAOYSA-N
XLogP-1.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-dihydroxybutan-2-yl)formamide?
The IUPAC name of N-(1,3-dihydroxybutan-2-yl)formamide (CID 123985817) is N-(1,3-dihydroxybutan-2-yl)formamide.
What is the SMILES notation for N-(1,3-dihydroxybutan-2-yl)formamide?
The canonical SMILES for N-(1,3-dihydroxybutan-2-yl)formamide is CC(O)C(CO)NC=O.
What is the InChIKey of N-(1,3-dihydroxybutan-2-yl)formamide?
The InChIKey is UMCMEOMVMZSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(9)5(2-7)6-3-8/h3-5,7,9H,2H2,1H3,(H,6,8).
What are the key properties of N-(1,3-dihydroxybutan-2-yl)formamide?
N-(1,3-dihydroxybutan-2-yl)formamide has a molecular weight of 133.15 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxybutan-2-yl)formamide is sourced from PubChem (CID 123985817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).