2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide

C10H19NO5 — CID 87094043

IUPAC2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)O.CC(O)C(=O)O
InChIInChI=1S/C7H13NO2.C3H6O3/c1-5(2)7(10)8-4-6(3)9;1-2(4)3(5)6/h6,9H,1,4H2,2-3H3,(H,8,10);2,4H,1H3,(H,5,6)
InChIKeyRCHCPBMAHMWFCD-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.49
Rot. Bonds4

About 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide

2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 87094043) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID87094043
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)O.CC(O)C(=O)O
InChIInChI=1S/C7H13NO2.C3H6O3/c1-5(2)7(10)8-4-6(3)9;1-2(4)3(5)6/h6,9H,1,4H2,2-3H3,(H,8,10);2,4H,1H3,(H,5,6)
InChIKeyRCHCPBMAHMWFCD-UHFFFAOYSA-N
XLogP-0.49
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide (CID 87094043) is 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)O.CC(O)C(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is RCHCPBMAHMWFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H6O3/c1-5(2)7(10)8-4-6(3)9;1-2(4)3(5)6/h6,9H,1,4H2,2-3H3,(H,8,10);2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 233.26 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;N-(2-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87094043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).