4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide

C6H11NO3 — CID 91244020

IUPAC4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)NCO
InChIInChI=1S/C6H11NO3/c1-5(2-3-8)6(10)7-4-9/h8-9H,1-4H2,(H,7,10)
InChIKeyFNNJNEBJAGJJQD-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.01
Rot. Bonds4

About 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide

4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide (PubChem CID 91244020) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide.

Molecular Properties

Compound Name4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
PubChem CID91244020
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)NCO
InChIInChI=1S/C6H11NO3/c1-5(2-3-8)6(10)7-4-9/h8-9H,1-4H2,(H,7,10)
InChIKeyFNNJNEBJAGJJQD-UHFFFAOYSA-N
XLogP-1.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide
CID 53437142
N'-(hydroxymethyl)-2-methylidenepropanediamide
CID 19799962
sodium 4-hydroxy-2-methylidenebutanoate
CID 23685103
N-ethyl-2-methylidenehexanamide
CID 140513535
hydroxymethyl 4-hydroxy-2-methylidenebutanoate
CID 22358531
4-hydroxy-2-methylidenebutanamide;prop-2-enylcarbamic acid
CID 87552237
4-hydroxy-2-methylidenebutanoic acid;nitric acid
CID 175526871
2-(2-methylidenepentanoylamino)ethyl hydrogen sulfate
CID 140572936
N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
CID 158189106
1,3-bis(hydroxymethyl)urea;hydrate
CID 139703272
N-hydroxy-2-methylidenepentanamide
CID 22256183
N-(4-hydroxybut-1-en-2-yl)carbamoyl iodide
CID 88991928

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide?
The IUPAC name of 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide (CID 91244020) is 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide.
What is the SMILES notation for 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide?
The canonical SMILES for 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide is C=C(CCO)C(=O)NCO.
What is the InChIKey of 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide?
The InChIKey is FNNJNEBJAGJJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2-3-8)6(10)7-4-9/h8-9H,1-4H2,(H,7,10).
What are the key properties of 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide?
4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide has a molecular weight of 145.16 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide is sourced from PubChem (CID 91244020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).