(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide

C11H18N2O5 — CID 178052092

IUPAC(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
SMILESC/C(=C/N(C)C1CC(O)C(CO)O1)C(=O)NC=O
InChIInChI=1S/C11H18N2O5/c1-7(11(17)12-6-15)4-13(2)10-3-8(16)9(5-14)18-10/h4,6,8-10,14,16H,3,5H2,1-2H3,(H,12,15,17)/b7-4-
InChIKeyWGPKRGXVUSEBEP-DAXSKMNVSA-N
MW258.27 g/mol
LogP-1.44
Rot. Bonds5

About (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide

(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide (PubChem CID 178052092) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
PubChem CID178052092
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
SMILESC/C(=C/N(C)C1CC(O)C(CO)O1)C(=O)NC=O
InChIInChI=1S/C11H18N2O5/c1-7(11(17)12-6-15)4-13(2)10-3-8(16)9(5-14)18-10/h4,6,8-10,14,16H,3,5H2,1-2H3,(H,12,15,17)/b7-4-
InChIKeyWGPKRGXVUSEBEP-DAXSKMNVSA-N
XLogP-1.44
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium
CID 169252444
(E)-2-bromo-N-formyl-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enamide
CID 178018389
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1-[(Z)-3-oxoprop-1-enyl]urea
CID 156640153
1-[(E)-2-chloro-3-oxoprop-1-enyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylurea;difluoromethane
CID 144900733
1-[(1E)-3-fluoro-2-formylbuta-1,3-dienyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylurea
CID 121487195
N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
CID 58621937
N-[(2Z)-1-amino-2-[[[(4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]deca-3,9-diynylidene]formamide
CID 176659075
1-[(Z)-3-azido-4-bromo-2-formyl-4-iodobut-1-enyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylurea
CID 121487245
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
ethane;N-[(Z)-5-[formyl-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-4-(N'-methylcarbamimidoyl)pent-4-en-2-ynyl]formamide;1,1,1-trifluoroethane
CID 142864403
3-(diaminomethylidene)-1-ethenyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]urea
CID 89143772
N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide
CID 174150394

Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide?
The IUPAC name of (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide (CID 178052092) is (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide.
What is the SMILES notation for (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide?
The canonical SMILES for (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide is C/C(=C/N(C)C1CC(O)C(CO)O1)C(=O)NC=O.
What is the InChIKey of (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide?
The InChIKey is WGPKRGXVUSEBEP-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(11(17)12-6-15)4-13(2)10-3-8(16)9(5-14)18-10/h4,6,8-10,14,16H,3,5H2,1-2H3,(H,12,15,17)/b7-4-.
What are the key properties of (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide?
(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide has a molecular weight of 258.27 g/mol, XLogP of -1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide is sourced from PubChem (CID 178052092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).