5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid

C11H21NO5 — CID 132890107

IUPAC5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid
SMILESCC(O)CN(CC(C)O)C(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO5/c1-8(13)6-12(7-9(2)14)10(15)4-3-5-11(16)17/h8-9,13-14H,3-7H2,1-2H3,(H,16,17)
InChIKeyAIZLQMXMCQVQHO-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.17
Rot. Bonds8

About 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid

5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid (PubChem CID 132890107) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid
PubChem CID132890107
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid
SMILESCC(O)CN(CC(C)O)C(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO5/c1-8(13)6-12(7-9(2)14)10(15)4-3-5-11(16)17/h8-9,13-14H,3-7H2,1-2H3,(H,16,17)
InChIKeyAIZLQMXMCQVQHO-UHFFFAOYSA-N
XLogP-0.17
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid (CID 132890107) is 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid is CC(O)CN(CC(C)O)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid?
The InChIKey is AIZLQMXMCQVQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-8(13)6-12(7-9(2)14)10(15)4-3-5-11(16)17/h8-9,13-14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid?
5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxypropyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 132890107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).