4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide

C8H15NO4 — CID 10420004

IUPAC4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide
SMILESC=C(C(=O)N(CO)CO)C(C)CO
InChIInChI=1S/C8H15NO4/c1-6(3-10)7(2)8(13)9(4-11)5-12/h6,10-12H,2-5H2,1H3
InChIKeyMNZARHAWQNZDQR-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.10
Rot. Bonds5

About 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide

4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide (PubChem CID 10420004) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide.

Molecular Properties

Compound Name4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide
PubChem CID10420004
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide
SMILESC=C(C(=O)N(CO)CO)C(C)CO
InChIInChI=1S/C8H15NO4/c1-6(3-10)7(2)8(13)9(4-11)5-12/h6,10-12H,2-5H2,1H3
InChIKeyMNZARHAWQNZDQR-UHFFFAOYSA-N
XLogP-1.10
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide?
The IUPAC name of 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide (CID 10420004) is 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide.
What is the SMILES notation for 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide?
The canonical SMILES for 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide is C=C(C(=O)N(CO)CO)C(C)CO.
What is the InChIKey of 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide?
The InChIKey is MNZARHAWQNZDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(3-10)7(2)8(13)9(4-11)5-12/h6,10-12H,2-5H2,1H3.
What are the key properties of 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide?
4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide has a molecular weight of 189.21 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-bis(hydroxymethyl)-3-methyl-2-methylidenebutanamide is sourced from PubChem (CID 10420004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).