ethyl 2-amino-2-methylpropanoate

C6H12NO2+ — CID 153428588

IUPACethyl 2-amino-2-methylpropanoate
SMILES[CH2+]COC(=O)C(C)(C)N
InChIInChI=1S/C6H12NO2/c1-4-9-5(8)6(2,3)7/h1,4,7H2,2-3H3/q+1
InChIKeyVYURBNVOPCSWAP-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.10
Rot. Bonds2

About ethyl 2-amino-2-methylpropanoate

ethyl 2-amino-2-methylpropanoate (PubChem CID 153428588) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is ethyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methylpropanoate
PubChem CID153428588
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Nameethyl 2-amino-2-methylpropanoate
SMILES[CH2+]COC(=O)C(C)(C)N
InChIInChI=1S/C6H12NO2/c1-4-9-5(8)6(2,3)7/h1,4,7H2,2-3H3/q+1
InChIKeyVYURBNVOPCSWAP-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

ethyl 2,2-dimethylbutanoate
CID 20744002
3,3-dimethylbutyl 2-amino-2-methylpropanoate
CID 66227109
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
2-aminopropan-2-yl 2-amino-2-methylpropanoate
CID 163435102
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
methyl 2-amino-2-methylpropaneperoxoate;hydrochloride
CID 175031263
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride
CID 130300907
(2R,3S,4R,5R)-6-(2-amino-2-methylpropanoyl)oxy-2,3,4,5-tetrahydroxyhexanoic acid
CID 87553257
3-amino-3-methylbutan-2-one
CID 4913006
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methylpropanoate?
The IUPAC name of ethyl 2-amino-2-methylpropanoate (CID 153428588) is ethyl 2-amino-2-methylpropanoate.
What is the SMILES notation for ethyl 2-amino-2-methylpropanoate?
The canonical SMILES for ethyl 2-amino-2-methylpropanoate is [CH2+]COC(=O)C(C)(C)N.
What is the InChIKey of ethyl 2-amino-2-methylpropanoate?
The InChIKey is VYURBNVOPCSWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c1-4-9-5(8)6(2,3)7/h1,4,7H2,2-3H3/q+1.
What are the key properties of ethyl 2-amino-2-methylpropanoate?
ethyl 2-amino-2-methylpropanoate 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 ethyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 153428588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).