2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate

C9H15NO4 — CID 87093893

IUPAC2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
SMILESC=C(C)C(=O)NCCOC(=O)C(C)O
InChIInChI=1S/C9H15NO4/c1-6(2)8(12)10-4-5-14-9(13)7(3)11/h7,11H,1,4-5H2,2-3H3,(H,10,12)
InChIKeyJZVRRJGDFJOIPX-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.40
Rot. Bonds5

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

2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate (PubChem CID 87093893) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
PubChem CID87093893
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
SMILESC=C(C)C(=O)NCCOC(=O)C(C)O
InChIInChI=1S/C9H15NO4/c1-6(2)8(12)10-4-5-14-9(13)7(3)11/h7,11H,1,4-5H2,2-3H3,(H,10,12)
InChIKeyJZVRRJGDFJOIPX-UHFFFAOYSA-N
XLogP-0.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.40
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-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
4-(2-methylprop-2-enoylamino)butyl 2-methylpropanoate
CID 59532975
N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
CID 23525810
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
magnesium;hydride;2-(2-methylprop-2-enoylamino)ethyl 2-(2-methylprop-2-enoylamino)ethanesulfonate
CID 174803030
2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
CID 154599046
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate (CID 87093893) is 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate is C=C(C)C(=O)NCCOC(=O)C(C)O.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate?
The InChIKey is JZVRRJGDFJOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(2)8(12)10-4-5-14-9(13)7(3)11/h7,11H,1,4-5H2,2-3H3,(H,10,12).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate?
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate has a molecular weight of 201.22 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate is sourced from PubChem (CID 87093893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).