2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid

C18H33N3O5 — CID 3471114

IUPAC2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCCN1CCC(N(CCN2CCOCC2)C(=O)COCC(=O)O)CC1
InChIInChI=1S/C18H33N3O5/c1-2-5-19-6-3-16(4-7-19)21(17(22)14-26-15-18(23)24)9-8-20-10-12-25-13-11-20/h16H,2-15H2,1H3,(H,23,24)
InChIKeyHUSQTMWFXISESB-UHFFFAOYSA-N
MW371.48 g/mol
LogP0.12
Rot. Bonds10

About 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 3471114) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID3471114
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Name2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCCN1CCC(N(CCN2CCOCC2)C(=O)COCC(=O)O)CC1
InChIInChI=1S/C18H33N3O5/c1-2-5-19-6-3-16(4-7-19)21(17(22)14-26-15-18(23)24)9-8-20-10-12-25-13-11-20/h16H,2-15H2,1H3,(H,23,24)
InChIKeyHUSQTMWFXISESB-UHFFFAOYSA-N
XLogP0.12
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid (CID 3471114) is 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid is CCCN1CCC(N(CCN2CCOCC2)C(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is HUSQTMWFXISESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-2-5-19-6-3-16(4-7-19)21(17(22)14-26-15-18(23)24)9-8-20-10-12-25-13-11-20/h16H,2-15H2,1H3,(H,23,24).
What are the key properties of 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 371.48 g/mol, XLogP of 0.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-morpholin-4-ylethyl-(1-propylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 3471114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).