2-methylpropan-2-yl 2-aminoacetate

C6H12NO2+ — CID 123563944

IUPAC2-methylpropan-2-yl 2-aminoacetate
SMILES[CH2+]C(C)(C)OC(=O)CN
InChIInChI=1S/C6H12NO2/c1-6(2,3)9-5(8)4-7/h1,4,7H2,2-3H3/q+1
InChIKeyQLICMDMKOMQNGD-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.10
Rot. Bonds2

About 2-methylpropan-2-yl 2-aminoacetate

2-methylpropan-2-yl 2-aminoacetate (PubChem CID 123563944) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-methylpropan-2-yl 2-aminoacetate.

Molecular Properties

Compound Name2-methylpropan-2-yl 2-aminoacetate
PubChem CID123563944
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-methylpropan-2-yl 2-aminoacetate
SMILES[CH2+]C(C)(C)OC(=O)CN
InChIInChI=1S/C6H12NO2/c1-6(2,3)9-5(8)4-7/h1,4,7H2,2-3H3/q+1
InChIKeyQLICMDMKOMQNGD-UHFFFAOYSA-N
XLogP0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-aminopropanoate
CID 7359212
Glycine tert-butyl ester
CID 151417
Glycine tert-butyl ester hydrochloride
CID 2725036
tert-Butyl isocyanoacetate
CID 2759404
tert-Butyl alaninate hydrochloride
CID 11275390
L-Alanine 1,1-dimethylethyl ester
CID 89016
Tert-butyl 2-(methylamino)acetate
CID 5069406
D-Alanine tert-butyl ester hydrochloride
CID 16211919
Tert-butyl 2-aminopropanoate hydrochloride
CID 21916431
Propyl glycinate
CID 2759255
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]azanium
CID 6950361
Propan-2-yl 2-aminoacetate
CID 13820629

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-yl 2-aminoacetate?
The IUPAC name of 2-methylpropan-2-yl 2-aminoacetate (CID 123563944) is 2-methylpropan-2-yl 2-aminoacetate.
What is the SMILES notation for 2-methylpropan-2-yl 2-aminoacetate?
The canonical SMILES for 2-methylpropan-2-yl 2-aminoacetate is [CH2+]C(C)(C)OC(=O)CN.
What is the InChIKey of 2-methylpropan-2-yl 2-aminoacetate?
The InChIKey is QLICMDMKOMQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c1-6(2,3)9-5(8)4-7/h1,4,7H2,2-3H3/q+1.
What are the key properties of 2-methylpropan-2-yl 2-aminoacetate?
2-methylpropan-2-yl 2-aminoacetate has a molecular weight of 130.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-yl 2-aminoacetate is sourced from PubChem (CID 123563944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).