azane;N-methylprop-2-enamide;2-propylpropanedioic acid

C10H20N2O5 — CID 172771679

IUPACazane;N-methylprop-2-enamide;2-propylpropanedioic acid
SMILESC=CC(=O)NC.CCCC(C(=O)O)C(=O)O.N
InChIInChI=1S/C6H10O4.C4H7NO.H3N/c1-2-3-4(5(7)8)6(9)10;1-3-4(6)5-2;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);3H,1H2,2H3,(H,5,6);1H3
InChIKeyNAQYXXPKZVKEGM-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.65
Rot. Bonds5

About azane;N-methylprop-2-enamide;2-propylpropanedioic acid

azane;N-methylprop-2-enamide;2-propylpropanedioic acid (PubChem CID 172771679) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is azane;N-methylprop-2-enamide;2-propylpropanedioic acid.

Molecular Properties

Compound Nameazane;N-methylprop-2-enamide;2-propylpropanedioic acid
PubChem CID172771679
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Nameazane;N-methylprop-2-enamide;2-propylpropanedioic acid
SMILESC=CC(=O)NC.CCCC(C(=O)O)C(=O)O.N
InChIInChI=1S/C6H10O4.C4H7NO.H3N/c1-2-3-4(5(7)8)6(9)10;1-3-4(6)5-2;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);3H,1H2,2H3,(H,5,6);1H3
InChIKeyNAQYXXPKZVKEGM-UHFFFAOYSA-N
XLogP0.65
TPSA138.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methanol;bis(N-methylprop-2-enamide)
CID 175170531
but-1-ene;N-methylprop-2-enamide
CID 159446883
diethylalumanylium;N-methylprop-2-enamide;chloride
CID 175303125
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
dihydroxy(oxo)phosphanium;2-propylpropanedioic acid
CID 174636212
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757

Frequently Asked Questions

What is the IUPAC name of azane;N-methylprop-2-enamide;2-propylpropanedioic acid?
The IUPAC name of azane;N-methylprop-2-enamide;2-propylpropanedioic acid (CID 172771679) is azane;N-methylprop-2-enamide;2-propylpropanedioic acid.
What is the SMILES notation for azane;N-methylprop-2-enamide;2-propylpropanedioic acid?
The canonical SMILES for azane;N-methylprop-2-enamide;2-propylpropanedioic acid is C=CC(=O)NC.CCCC(C(=O)O)C(=O)O.N.
What is the InChIKey of azane;N-methylprop-2-enamide;2-propylpropanedioic acid?
The InChIKey is NAQYXXPKZVKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H7NO.H3N/c1-2-3-4(5(7)8)6(9)10;1-3-4(6)5-2;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);3H,1H2,2H3,(H,5,6);1H3.
What are the key properties of azane;N-methylprop-2-enamide;2-propylpropanedioic acid?
azane;N-methylprop-2-enamide;2-propylpropanedioic acid has a molecular weight of 248.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-methylprop-2-enamide;2-propylpropanedioic acid is sourced from PubChem (CID 172771679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).