(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid

C10H17F2NO4 — CID 107562818

IUPAC(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CCOCC(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO4/c1-2-3-7(10(15)16)13-9(14)4-5-17-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyBKAXKAZGPKWEJZ-SSDOTTSWSA-N
MW253.24 g/mol
LogP1.03
Rot. Bonds9

About (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid

(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid (PubChem CID 107562818) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
PubChem CID107562818
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CCOCC(F)F)C(=O)O
InChIInChI=1S/C10H17F2NO4/c1-2-3-7(10(15)16)13-9(14)4-5-17-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyBKAXKAZGPKWEJZ-SSDOTTSWSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205835
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822809
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
2-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128613
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 115923937
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
(2S)-2-(4-ethoxybutanoylamino)pentanoic acid
CID 107564387
(2S)-5-amino-5-oxo-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid (CID 107562818) is (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid is CCC[C@@H](NC(=O)CCOCC(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid?
The InChIKey is BKAXKAZGPKWEJZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-2-3-7(10(15)16)13-9(14)4-5-17-6-8(11)12/h7-8H,2-6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid?
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid has a molecular weight of 253.24 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid is sourced from PubChem (CID 107562818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).