methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate

C9H15NO4 — CID 139781519

IUPACmethyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(C(C)C)C(O)C(=O)OC
InChIInChI=1S/C9H15NO4/c1-5-7(11)10(6(2)3)8(12)9(13)14-4/h5-6,8,12H,1H2,2-4H3
InChIKeyNTMMWWASJSPNCO-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.10
Rot. Bonds4

About methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate

methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate (PubChem CID 139781519) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate
PubChem CID139781519
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(C(C)C)C(O)C(=O)OC
InChIInChI=1S/C9H15NO4/c1-5-7(11)10(6(2)3)8(12)9(13)14-4/h5-6,8,12H,1H2,2-4H3
InChIKeyNTMMWWASJSPNCO-UHFFFAOYSA-N
XLogP-0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058
N,N-bis(pent-4-en-2-yl)prop-2-enamide
CID 88606180
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
trimethyl (2S)-2-methylpent-4-ene-1,1,3-tricarboxylate
CID 132566153
methyl (2S,3R)-2,3-dimethylpent-4-enoate
CID 13148875
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate?
The IUPAC name of methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate (CID 139781519) is methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate is C=CC(=O)N(C(C)C)C(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate?
The InChIKey is NTMMWWASJSPNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-7(11)10(6(2)3)8(12)9(13)14-4/h5-6,8,12H,1H2,2-4H3.
What are the key properties of methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate?
methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate has a molecular weight of 201.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate is sourced from PubChem (CID 139781519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).