3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid

C11H19NO6 — CID 172719871

IUPAC3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
SMILESCOC(=O)CCN(CCC(=O)O)CCC(=O)OC
InChIInChI=1S/C11H19NO6/c1-17-10(15)4-7-12(6-3-9(13)14)8-5-11(16)18-2/h3-8H2,1-2H3,(H,13,14)
InChIKeyGIZXKPGGARVXAJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.11
Rot. Bonds9

About 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid

3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid (PubChem CID 172719871) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
PubChem CID172719871
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
SMILESCOC(=O)CCN(CCC(=O)O)CCC(=O)OC
InChIInChI=1S/C11H19NO6/c1-17-10(15)4-7-12(6-3-9(13)14)8-5-11(16)18-2/h3-8H2,1-2H3,(H,13,14)
InChIKeyGIZXKPGGARVXAJ-UHFFFAOYSA-N
XLogP-0.11
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
methyl 3-(dihexylamino)propanoate
CID 11032971
methyl 3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]propanoate
CID 169448717
methyl 3-[(3-methoxy-3-oxopropyl)-(3-trihydroxysilylpropyl)amino]propanoate
CID 58383071
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-propylamino]ethyl-methylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90207709
iodomethane;4-methoxy-4-oxobutanoic acid
CID 87985757
methyl 3-[(3-methoxy-3-oxopropyl)-(5-methylhexyl)amino]propanoate
CID 159622507
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid?
The IUPAC name of 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid (CID 172719871) is 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid?
The canonical SMILES for 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid is COC(=O)CCN(CCC(=O)O)CCC(=O)OC.
What is the InChIKey of 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid?
The InChIKey is GIZXKPGGARVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-17-10(15)4-7-12(6-3-9(13)14)8-5-11(16)18-2/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid?
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid has a molecular weight of 261.27 g/mol, XLogP of -0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 172719871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).