(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid

C9H15F2NO5 — CID 107822809

IUPAC(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid
SMILESO=C(CCOCC(F)F)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H15F2NO5/c10-7(11)5-17-4-2-8(14)12-6(1-3-13)9(15)16/h6-7,13H,1-5H2,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyHGMIWWFLYPDJDO-ZCFIWIBFSA-N
MW255.22 g/mol
LogP-0.39
Rot. Bonds9

About (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid

(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid (PubChem CID 107822809) has the molecular formula C9H15F2NO5 and a molecular weight of 255.22 g/mol. Its IUPAC name is (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid
PubChem CID107822809
Molecular FormulaC9H15F2NO5
Molecular Weight255.22 g/mol
Exact Mass255.09
IUPAC Name(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid
SMILESO=C(CCOCC(F)F)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H15F2NO5/c10-7(11)5-17-4-2-8(14)12-6(1-3-13)9(15)16/h6-7,13H,1-5H2,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyHGMIWWFLYPDJDO-ZCFIWIBFSA-N
XLogP-0.39
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
2-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205835
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
(2R)-4-hydroxy-2-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 107823042
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
(2S)-2-[3-(2-fluorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822360
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
(2S)-4-hydroxy-2-(7-oxoheptanoylamino)butanoic acid
CID 91574406
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid (CID 107822809) is (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid is O=C(CCOCC(F)F)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid?
The InChIKey is HGMIWWFLYPDJDO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15F2NO5/c10-7(11)5-17-4-2-8(14)12-6(1-3-13)9(15)16/h6-7,13H,1-5H2,(H,12,14)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid?
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid has a molecular weight of 255.22 g/mol, XLogP of -0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).