2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate

C8H13NO4 — CID 87097476

IUPAC2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
SMILESC=CC(=O)NCCOC(=O)C(C)O
InChIInChI=1S/C8H13NO4/c1-3-7(11)9-4-5-13-8(12)6(2)10/h3,6,10H,1,4-5H2,2H3,(H,9,11)
InChIKeyDDGOOANGDGPKGO-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.79
Rot. Bonds5

About 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate

2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate (PubChem CID 87097476) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
PubChem CID87097476
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
SMILESC=CC(=O)NCCOC(=O)C(C)O
InChIInChI=1S/C8H13NO4/c1-3-7(11)9-4-5-13-8(12)6(2)10/h3,6,10H,1,4-5H2,2H3,(H,9,11)
InChIKeyDDGOOANGDGPKGO-UHFFFAOYSA-N
XLogP-0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953
2-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
CID 167093318
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
CID 143586644
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
CID 58412122
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate (CID 87097476) is 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate is C=CC(=O)NCCOC(=O)C(C)O.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate?
The InChIKey is DDGOOANGDGPKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-7(11)9-4-5-13-8(12)6(2)10/h3,6,10H,1,4-5H2,2H3,(H,9,11).
What are the key properties of 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate?
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate has a molecular weight of 187.19 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate is sourced from PubChem (CID 87097476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).