tert-butyl 2-(3-methoxypropanoylamino)acetate

C10H19NO4 — CID 173312753

IUPACtert-butyl 2-(3-methoxypropanoylamino)acetate
SMILESCOCCC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-8(12)5-6-14-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyDAMPXORLLDUGMB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds5

About tert-butyl 2-(3-methoxypropanoylamino)acetate

tert-butyl 2-(3-methoxypropanoylamino)acetate (PubChem CID 173312753) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl 2-(3-methoxypropanoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-methoxypropanoylamino)acetate
PubChem CID173312753
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl 2-(3-methoxypropanoylamino)acetate
SMILESCOCCC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-8(12)5-6-14-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyDAMPXORLLDUGMB-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(12-methoxydodecanoylamino)acetate
CID 15432302
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
CID 103263911
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
tert-butyl 2-(but-3-enoylamino)acetate
CID 13110976
tert-butyl 4-(ethylamino)-4-oxobutanoate
CID 106706793
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
CID 66172346
[3-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
CID 20643830
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methoxypropanoylamino)acetate?
The IUPAC name of tert-butyl 2-(3-methoxypropanoylamino)acetate (CID 173312753) is tert-butyl 2-(3-methoxypropanoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(3-methoxypropanoylamino)acetate?
The canonical SMILES for tert-butyl 2-(3-methoxypropanoylamino)acetate is COCCC(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methoxypropanoylamino)acetate?
The InChIKey is DAMPXORLLDUGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)7-11-8(12)5-6-14-4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl 2-(3-methoxypropanoylamino)acetate?
tert-butyl 2-(3-methoxypropanoylamino)acetate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methoxypropanoylamino)acetate is sourced from PubChem (CID 173312753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).