2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol

C11H19NO5 — CID 174416041

IUPAC2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
SMILESC=CCC(=C)C(N)=O.C=CCO.O=C(O)CO
InChIInChI=1S/C6H9NO.C3H6O.C2H4O3/c1-3-4-5(2)6(7)8;1-2-3-4;3-1-2(4)5/h3H,1-2,4H2,(H2,7,8);2,4H,1,3H2;3H,1H2,(H,4,5)
InChIKeyYNNPTOXMBQDFGL-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.17
Rot. Bonds5

About 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol

2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol (PubChem CID 174416041) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol.

Molecular Properties

Compound Name2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
PubChem CID174416041
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
SMILESC=CCC(=C)C(N)=O.C=CCO.O=C(O)CO
InChIInChI=1S/C6H9NO.C3H6O.C2H4O3/c1-3-4-5(2)6(7)8;1-2-3-4;3-1-2(4)5/h3H,1-2,4H2,(H2,7,8);2,4H,1,3H2;3H,1H2,(H,4,5)
InChIKeyYNNPTOXMBQDFGL-UHFFFAOYSA-N
XLogP-0.17
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;2-methylidenepent-4-enamide
CID 87195427
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
sodium;2-methylidenepent-4-enamide;prop-2-ene-1-sulfonate
CID 175518990
ethene;2-methylidenepent-4-enoic acid
CID 174232070
2-hydroxyacetic acid;prop-2-ene-1-thiol
CID 88789188
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide
CID 18690297
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670
3-oxohex-5-enoic acid
CID 22076660
carbamoyl 2-methylidenepent-4-eneperoxoate
CID 87501876
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol?
The IUPAC name of 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol (CID 174416041) is 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol.
What is the SMILES notation for 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol?
The canonical SMILES for 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol is C=CCC(=C)C(N)=O.C=CCO.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol?
The InChIKey is YNNPTOXMBQDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H6O.C2H4O3/c1-3-4-5(2)6(7)8;1-2-3-4;3-1-2(4)5/h3H,1-2,4H2,(H2,7,8);2,4H,1,3H2;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol?
2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol has a molecular weight of 245.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol is sourced from PubChem (CID 174416041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).