methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate

C8H16N2O3 — CID 103603748

IUPACmethyl 3-[[2-(dimethylamino)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CN(C)C
InChIInChI=1S/C8H16N2O3/c1-10(2)6-7(11)9-5-4-8(12)13-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyOBQGMRCESSDDTL-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.77
Rot. Bonds5

About methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate

methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate (PubChem CID 103603748) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dimethylamino)acetyl]amino]propanoate
PubChem CID103603748
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 3-[[2-(dimethylamino)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CN(C)C
InChIInChI=1S/C8H16N2O3/c1-10(2)6-7(11)9-5-4-8(12)13-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyOBQGMRCESSDDTL-UHFFFAOYSA-N
XLogP-0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(dimethylamino)-N-methylacetamido]propanoate
CID 103641653
methyl 3-(3-amino-N-methylpropanamido)propanoate hydrochloride
CID 146049090
methyl 3-(N-methyl-3-(methylamino)propanamido)propanoate hydrochloride
CID 155820097
3-(dimethylamino)-N-((methylcarbamoyl)methyl)propanamide
CID 155820491
methyl 3-(2-amino-N-methylacetamido)propanoate hydrochloride
CID 155943319
Methyl 3-[3-(dimethylamino)propanamido]propanoate
CID 165887053
Methyl 2-(3-(dimethylamino)propanamido)acetate
CID 165888091
Ethyl 3-[2-(dimethylamino)ethylamino]-3-oxopropanoate
CID 15256892
Methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 47451904
Ethyl 3-[2-(diethylamino)ethylamino]-3-oxopropanoate
CID 15256893
Methyl 2-[2-[2-aminopropanoyl(methyl)amino]propanoylamino]propanoate
CID 75038042
3-(2-Oxo-2-piperazin-1-yl-ethylamino)-propionic acid t-butyl ester
CID 129732942

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate (CID 103603748) is methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate is COC(=O)CCNC(=O)CN(C)C.
What is the InChIKey of methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate?
The InChIKey is OBQGMRCESSDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-10(2)6-7(11)9-5-4-8(12)13-3/h4-6H2,1-3H3,(H,9,11).
What are the key properties of methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate?
methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dimethylamino)acetyl]amino]propanoate is sourced from PubChem (CID 103603748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).