methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate

C9H18N2O3 — CID 115426447

IUPACmethyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(C)CN
InChIInChI=1S/C9H18N2O3/c1-9(2,6-10)8(13)11(3)5-7(12)14-4/h5-6,10H2,1-4H3
InChIKeyNLABTDCEMSERBK-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.40
Rot. Bonds4

About methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate

methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate (PubChem CID 115426447) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
PubChem CID115426447
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(C)CN
InChIInChI=1S/C9H18N2O3/c1-9(2,6-10)8(13)11(3)5-7(12)14-4/h5-6,10H2,1-4H3
InChIKeyNLABTDCEMSERBK-UHFFFAOYSA-N
XLogP-0.40
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
3-amino-N-(2-cyclobutylethyl)-N,2,2-trimethylpropanamide
CID 115154782
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
CID 143023750
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
5-[(2-methoxy-2-oxoethyl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935261
3-amino-N,2,2-trimethyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63865875
4-[[(3-amino-2,2-dimethylpropanoyl)-methylamino]methyl]-N-methylbenzamide;hydrochloride
CID 119694216

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate (CID 115426447) is methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)C(C)(C)CN.
What is the InChIKey of methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate?
The InChIKey is NLABTDCEMSERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,6-10)8(13)11(3)5-7(12)14-4/h5-6,10H2,1-4H3.
What are the key properties of methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate?
methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate is sourced from PubChem (CID 115426447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).