2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid

C9H17F2NO3 — CID 107480763

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c1-2-3-7(9(14)15)12(4-5-13)6-8(10)11/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyNWGQESUPUFXPRF-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.80
Rot. Bonds8

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid (PubChem CID 107480763) has the molecular formula C9H17F2NO3 and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
PubChem CID107480763
Molecular FormulaC9H17F2NO3
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CCO)CC(F)F
InChIInChI=1S/C9H17F2NO3/c1-2-3-7(9(14)15)12(4-5-13)6-8(10)11/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyNWGQESUPUFXPRF-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
CID 83041188
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 107571038
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
2-[2-hydroxyethyl-(prop-2-enylamino)amino]pentanoic acid
CID 87316681
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
CID 82329130

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid (CID 107480763) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
The InChIKey is NWGQESUPUFXPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3/c1-2-3-7(9(14)15)12(4-5-13)6-8(10)11/h7-8,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid has a molecular weight of 225.23 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid is sourced from PubChem (CID 107480763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).