N'-hydroxybutanediamide;prop-2-enamide

C7H13N3O4 — CID 174613552

IUPACN'-hydroxybutanediamide;prop-2-enamide
SMILESC=CC(N)=O.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C3H5NO/c5-3(7)1-2-4(8)6-9;1-2-3(4)5/h9H,1-2H2,(H2,5,7)(H,6,8);2H,1H2,(H2,4,5)
InChIKeyDNHMPNPVWHWZCF-UHFFFAOYSA-N
MW203.20 g/mol
LogP-1.59
Rot. Bonds4

About N'-hydroxybutanediamide;prop-2-enamide

N'-hydroxybutanediamide;prop-2-enamide (PubChem CID 174613552) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is N'-hydroxybutanediamide;prop-2-enamide.

Molecular Properties

Compound NameN'-hydroxybutanediamide;prop-2-enamide
PubChem CID174613552
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC NameN'-hydroxybutanediamide;prop-2-enamide
SMILESC=CC(N)=O.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C3H5NO/c5-3(7)1-2-4(8)6-9;1-2-3(4)5/h9H,1-2H2,(H2,5,7)(H,6,8);2H,1H2,(H2,4,5)
InChIKeyDNHMPNPVWHWZCF-UHFFFAOYSA-N
XLogP-1.59
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-Amino-4-oxobutanoyl)amino] prop-2-enoate
CID 49819519
N'-hydroxybutanediamide;prop-2-enoic acid
CID 87708534
CID 89873432
CID 89873432
N'-hydroxy-N'-prop-2-enoylbutanediamide
CID 151385542
N-hydroxyprop-2-enamide;prop-2-enamide
CID 174568103

Frequently Asked Questions

What is the IUPAC name of N'-hydroxybutanediamide;prop-2-enamide?
The IUPAC name of N'-hydroxybutanediamide;prop-2-enamide (CID 174613552) is N'-hydroxybutanediamide;prop-2-enamide.
What is the SMILES notation for N'-hydroxybutanediamide;prop-2-enamide?
The canonical SMILES for N'-hydroxybutanediamide;prop-2-enamide is C=CC(N)=O.NC(=O)CCC(=O)NO.
What is the InChIKey of N'-hydroxybutanediamide;prop-2-enamide?
The InChIKey is DNHMPNPVWHWZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C3H5NO/c5-3(7)1-2-4(8)6-9;1-2-3(4)5/h9H,1-2H2,(H2,5,7)(H,6,8);2H,1H2,(H2,4,5).
What are the key properties of N'-hydroxybutanediamide;prop-2-enamide?
N'-hydroxybutanediamide;prop-2-enamide has a molecular weight of 203.20 g/mol, XLogP of -1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybutanediamide;prop-2-enamide is sourced from PubChem (CID 174613552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).