5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid

C13H25NO4 — CID 62934926

IUPAC5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)N(CCCO)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO4/c1-10(2)14(6-5-7-15)11(16)8-13(3,4)9-12(17)18/h10,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyYOUAMULHNPMQSU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.50
Rot. Bonds8

About 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934926) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934926
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)N(CCCO)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C13H25NO4/c1-10(2)14(6-5-7-15)11(16)8-13(3,4)9-12(17)18/h10,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyYOUAMULHNPMQSU-UHFFFAOYSA-N
XLogP1.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934926) is 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)N(CCCO)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is YOUAMULHNPMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-10(2)14(6-5-7-15)11(16)8-13(3,4)9-12(17)18/h10,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).