methyl 2-(2-methylpropylamino)acetate

C7H15NO2 — CID 22175789

IUPACmethyl 2-(2-methylpropylamino)acetate
SMILESCOC(=O)CNCC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-8-5-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyPHSQMNIJNHEJNJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-(2-methylpropylamino)acetate

methyl 2-(2-methylpropylamino)acetate (PubChem CID 22175789) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)acetate
PubChem CID22175789
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-(2-methylpropylamino)acetate
SMILESCOC(=O)CNCC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-8-5-7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyPHSQMNIJNHEJNJ-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-aminopropylamino)acetate
CID 54010376
methyl 2-(2-iodopropylamino)acetate
CID 163571817
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221
3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
methyl 2-(2-methylpentylamino)acetate
CID 43200780
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
3,3-dimethylbutyl 2-(2-methylpropylamino)acetate
CID 66226218
octyl 2-(2-methylpropylamino)acetate
CID 63065599
methyl 2-(2-heptylundecylamino)acetate
CID 158259283
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60687550
methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate
CID 166744253
1-(2-methylpropylamino)pentan-2-one
CID 58806853

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)acetate?
The IUPAC name of methyl 2-(2-methylpropylamino)acetate (CID 22175789) is methyl 2-(2-methylpropylamino)acetate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)acetate?
The canonical SMILES for methyl 2-(2-methylpropylamino)acetate is COC(=O)CNCC(C)C.
What is the InChIKey of methyl 2-(2-methylpropylamino)acetate?
The InChIKey is PHSQMNIJNHEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)4-8-5-7(9)10-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2-methylpropylamino)acetate?
methyl 2-(2-methylpropylamino)acetate has a molecular weight of 145.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)acetate is sourced from PubChem (CID 22175789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).