N'-hydroxybutanediamide;prop-2-enoic acid

C7H12N2O5 — CID 87708534

IUPACN'-hydroxybutanediamide;prop-2-enoic acid
SMILESC=CC(=O)O.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C3H4O2/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,(H,4,5)
InChIKeyPBWRQSSISZQGFM-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.99
Rot. Bonds4

About N'-hydroxybutanediamide;prop-2-enoic acid

N'-hydroxybutanediamide;prop-2-enoic acid (PubChem CID 87708534) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is N'-hydroxybutanediamide;prop-2-enoic acid.

Molecular Properties

Compound NameN'-hydroxybutanediamide;prop-2-enoic acid
PubChem CID87708534
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC NameN'-hydroxybutanediamide;prop-2-enoic acid
SMILESC=CC(=O)O.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C3H4O2/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,(H,4,5)
InChIKeyPBWRQSSISZQGFM-UHFFFAOYSA-N
XLogP-0.99
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.99
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
4-Oxo-4-(prop-2-enoyloxyamino)butanoic acid
CID 89455399
N'-hydroxybutanediamide;3-methoxyprop-2-enoic acid
CID 160416099
N-hydroxyprop-2-enamide;prop-2-enoic acid
CID 161147036
butanediamide;(E)-but-2-enedioic acid
CID 172800197
N'-hydroxybutanediamide;prop-2-enamide
CID 174613552
N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid
CID 174826325
butanediamide;(Z)-but-2-enedioic acid
CID 174863707
Butanediamide;prop-2-enoic acid
CID 175731434

Frequently Asked Questions

What is the IUPAC name of N'-hydroxybutanediamide;prop-2-enoic acid?
The IUPAC name of N'-hydroxybutanediamide;prop-2-enoic acid (CID 87708534) is N'-hydroxybutanediamide;prop-2-enoic acid.
What is the SMILES notation for N'-hydroxybutanediamide;prop-2-enoic acid?
The canonical SMILES for N'-hydroxybutanediamide;prop-2-enoic acid is C=CC(=O)O.NC(=O)CCC(=O)NO.
What is the InChIKey of N'-hydroxybutanediamide;prop-2-enoic acid?
The InChIKey is PBWRQSSISZQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C3H4O2/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,(H,4,5).
What are the key properties of N'-hydroxybutanediamide;prop-2-enoic acid?
N'-hydroxybutanediamide;prop-2-enoic acid has a molecular weight of 204.18 g/mol, XLogP of -0.99, 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-enoic acid is sourced from PubChem (CID 87708534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).