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

C9H15NO3 — CID 60948405

IUPACmethyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C9H15NO3/c1-5-8(11)10(7(2)3)6-9(12)13-4/h5,7H,1,6H2,2-4H3
InChIKeyHVZYOTNRPLJJJN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.58
Rot. Bonds4

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

methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate (PubChem CID 60948405) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
PubChem CID60948405
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CC(=O)OC)C(C)C
InChIInChI=1S/C9H15NO3/c1-5-8(11)10(7(2)3)6-9(12)13-4/h5,7H,1,6H2,2-4H3
InChIKeyHVZYOTNRPLJJJN-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275518
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
methyl 2-[3-(4-methylphenyl)prop-2-enoyl-propan-2-ylamino]acetate
CID 76880000
methyl 2-[[(Z)-2-methylpent-2-enoyl]-propan-2-ylamino]acetate
CID 55150535
methyl 2-[(2-cyano-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 55206623
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate
CID 62847263
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate (CID 60948405) is methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate is C=CC(=O)N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate?
The InChIKey is HVZYOTNRPLJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-8(11)10(7(2)3)6-9(12)13-4/h5,7H,1,6H2,2-4H3.
What are the key properties of methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate?
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate has a molecular weight of 185.22 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate is sourced from PubChem (CID 60948405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).