methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate

C9H18N2O3 — CID 60947887

IUPACmethyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
SMILESCNCC(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-10-7-8(12)11(2)6-4-5-9(13)14-3/h10H,4-7H2,1-3H3
InChIKeyODBLENOMUDIFLA-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.38
Rot. Bonds6

About methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate

methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate (PubChem CID 60947887) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
PubChem CID60947887
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
SMILESCNCC(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-10-7-8(12)11(2)6-4-5-9(13)14-3/h10H,4-7H2,1-3H3
InChIKeyODBLENOMUDIFLA-UHFFFAOYSA-N
XLogP-0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
Methyl 3-[2-(dimethylamino)acetamido]propanoate
CID 103603748
Methyl 4-((2-(methylamino)-2-oxoethyl)amino)-4-oxobutanoate
CID 391820
Ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoate
CID 60648322
methyl 2-[N-methyl-4-(methylamino)butanamido]acetate
CID 60962731
Methyl 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoate
CID 62011140
Ethyl 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoate
CID 78914799
Methyl 4-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoate
CID 78915011
Methyl 4-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoate
CID 78958227
Methyl 4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]butanoate
CID 45797123
Methyl 4-[[2-(azepan-1-yl)acetyl]amino]butanoate
CID 47010716
Methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate
CID 10062627

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate (CID 60947887) is methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate is CNCC(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate?
The InChIKey is ODBLENOMUDIFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-7-8(12)11(2)6-4-5-9(13)14-3/h10H,4-7H2,1-3H3.
What are the key properties of methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate?
methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate has a molecular weight of 202.25 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate is sourced from PubChem (CID 60947887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).