tert-butyl 3-(2-methylprop-2-enoylamino)propanoate

C11H19NO3 — CID 59532872

IUPACtert-butyl 3-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)10(14)12-7-6-9(13)15-11(3,4)5/h1,6-7H2,2-5H3,(H,12,14)
InChIKeyWVTUWDCQKWWYMV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl 3-(2-methylprop-2-enoylamino)propanoate

tert-butyl 3-(2-methylprop-2-enoylamino)propanoate (PubChem CID 59532872) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 3-(2-methylprop-2-enoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylprop-2-enoylamino)propanoate
PubChem CID59532872
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 3-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)10(14)12-7-6-9(13)15-11(3,4)5/h1,6-7H2,2-5H3,(H,12,14)
InChIKeyWVTUWDCQKWWYMV-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetyl-beta-alanine tert-butyl ester
CID 19102537
(3-Methoxy-3-oxopropyl)-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium chloride
CID 134926724
(3-Methoxy-3-oxopropyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 134994267
3-[Dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propanoate
CID 12851417
3-(2-Methylprop-2-enoylamino)propyl 2-methylprop-2-enoate
CID 15055174
2-methyl-N-(3-propoxypropyl)prop-2-enamide
CID 20591608
tert-Butyl (3-methacrylamidopropyl)carbamate
CID 22062405
2-methyl-N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 22618943
N-(3-ethoxypropyl)-2-methylprop-2-enamide
CID 22618944
Tert-butyl 3-(propanoylamino)propanoate
CID 58935400
2-Methylbutan-2-yl 3-(prop-2-enoylamino)propanoate
CID 59270025
acetyl ethaneperoxoate;N-ethyl-2-methylprop-2-enamide
CID 87079640

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylprop-2-enoylamino)propanoate?
The IUPAC name of tert-butyl 3-(2-methylprop-2-enoylamino)propanoate (CID 59532872) is tert-butyl 3-(2-methylprop-2-enoylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(2-methylprop-2-enoylamino)propanoate?
The canonical SMILES for tert-butyl 3-(2-methylprop-2-enoylamino)propanoate is C=C(C)C(=O)NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methylprop-2-enoylamino)propanoate?
The InChIKey is WVTUWDCQKWWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)10(14)12-7-6-9(13)15-11(3,4)5/h1,6-7H2,2-5H3,(H,12,14).
What are the key properties of tert-butyl 3-(2-methylprop-2-enoylamino)propanoate?
tert-butyl 3-(2-methylprop-2-enoylamino)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylprop-2-enoylamino)propanoate is sourced from PubChem (CID 59532872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).