N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide

C5H11NO3 — CID 126759157

IUPACN-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide
SMILESC[C@@H](O)[C@@H](CO)NC=O
InChIInChI=1S/C5H11NO3/c1-4(9)5(2-7)6-3-8/h3-5,7,9H,2H2,1H3,(H,6,8)/t4-,5-/m1/s1
InChIKeyUMCMEOMVMZSDHS-RFZPGFLSSA-N
MW133.15 g/mol
LogP-1.53
Rot. Bonds4

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

N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide (PubChem CID 126759157) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide
PubChem CID126759157
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide
SMILESC[C@@H](O)[C@@H](CO)NC=O
InChIInChI=1S/C5H11NO3/c1-4(9)5(2-7)6-3-8/h3-5,7,9H,2H2,1H3,(H,6,8)/t4-,5-/m1/s1
InChIKeyUMCMEOMVMZSDHS-RFZPGFLSSA-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-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide?
The IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide (CID 126759157) is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide.
What is the SMILES notation for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide?
The canonical SMILES for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide is C[C@@H](O)[C@@H](CO)NC=O.
What is the InChIKey of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide?
The InChIKey is UMCMEOMVMZSDHS-RFZPGFLSSA-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)/t4-,5-/m1/s1.
What are the key properties of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide?
N-[(2R,3R)-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-[(2R,3R)-1,3-dihydroxybutan-2-yl]formamide is sourced from PubChem (CID 126759157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).