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

C8H13F2NO5 — CID 103206146

IUPAC(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
SMILESO=C(CCOCC(F)F)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H13F2NO5/c9-6(10)4-16-2-1-7(13)11-5(3-12)8(14)15/h5-6,12H,1-4H2,(H,11,13)(H,14,15)/t5-/m1/s1
InChIKeyOOIZFPYBLHGECT-RXMQYKEDSA-N
MW241.19 g/mol
LogP-0.78
Rot. Bonds8

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

(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid (PubChem CID 103206146) has the molecular formula C8H13F2NO5 and a molecular weight of 241.19 g/mol. Its IUPAC name is (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
PubChem CID103206146
Molecular FormulaC8H13F2NO5
Molecular Weight241.19 g/mol
Exact Mass241.08
IUPAC Name(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
SMILESO=C(CCOCC(F)F)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H13F2NO5/c9-6(10)4-16-2-1-7(13)11-5(3-12)8(14)15/h5-6,12H,1-4H2,(H,11,13)(H,14,15)/t5-/m1/s1
InChIKeyOOIZFPYBLHGECT-RXMQYKEDSA-N
XLogP-0.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 5-0.78
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]-4-hydroxybutanoic acid
CID 107822809
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
2-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205835
(2R)-2-(3-ethoxypropanoylamino)-3-hydroxypropanoic acid
CID 80750602
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
(2S)-3-hydroxy-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanoic acid
CID 61152760
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid (CID 103206146) is (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid is O=C(CCOCC(F)F)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid?
The InChIKey is OOIZFPYBLHGECT-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F2NO5/c9-6(10)4-16-2-1-7(13)11-5(3-12)8(14)15/h5-6,12H,1-4H2,(H,11,13)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid?
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid has a molecular weight of 241.19 g/mol, XLogP of -0.78, 8 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]-3-hydroxypropanoic acid is sourced from PubChem (CID 103206146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).