tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid

C10H22N2O4 — CID 165001010

IUPACtert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
SMILESCNCC(=O)O.CNCC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2.C3H7NO2/c1-7(2,3)10-6(9)5-8-4;1-4-2-3(5)6/h8H,5H2,1-4H3;4H,2H2,1H3,(H,5,6)
InChIKeyIGGJOIKKRAKLHF-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.16
Rot. Bonds4

About tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid

tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid (PubChem CID 165001010) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
PubChem CID165001010
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Nametert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
SMILESCNCC(=O)O.CNCC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2.C3H7NO2/c1-7(2,3)10-6(9)5-8-4;1-4-2-3(5)6/h8H,5H2,1-4H3;4H,2H2,1H3,(H,5,6)
InChIKeyIGGJOIKKRAKLHF-UHFFFAOYSA-N
XLogP-0.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926
2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]amino]acetic acid
CID 87341796
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
CID 103949974

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid?
The IUPAC name of tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid (CID 165001010) is tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid.
What is the SMILES notation for tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid?
The canonical SMILES for tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid is CNCC(=O)O.CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid?
The InChIKey is IGGJOIKKRAKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C3H7NO2/c1-7(2,3)10-6(9)5-8-4;1-4-2-3(5)6/h8H,5H2,1-4H3;4H,2H2,1H3,(H,5,6).
What are the key properties of tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid?
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid has a molecular weight of 234.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid is sourced from PubChem (CID 165001010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).