5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid

C8H15F2NO3 — CID 106178221

IUPAC5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
SMILESO=C(O)CCCCNCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3/c9-8(10,6-12)5-11-4-2-1-3-7(13)14/h11-12H,1-6H2,(H,13,14)
InChIKeyZJWOXLGYINFCKS-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.46
Rot. Bonds8

About 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid

5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid (PubChem CID 106178221) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
PubChem CID106178221
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Name5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
SMILESO=C(O)CCCCNCC(F)(F)CO
InChIInChI=1S/C8H15F2NO3/c9-8(10,6-12)5-11-4-2-1-3-7(13)14/h11-12H,1-6H2,(H,13,14)
InChIKeyZJWOXLGYINFCKS-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-hydroxy-2,2-dimethylpropyl)amino]hexanoic acid
CID 115359916
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
CID 106176150
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277
4-[(2,2-difluoro-3-hydroxypropyl)amino]-3-hydroxybutanoic acid
CID 106178195
4-(3-carboxypropylamino)butanoic acid
CID 4072500
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoic acid
CID 106247319
10-(ethylamino)decanoic acid
CID 57308942

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid?
The IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid (CID 106178221) is 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid is O=C(O)CCCCNCC(F)(F)CO.
What is the InChIKey of 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid?
The InChIKey is ZJWOXLGYINFCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c9-8(10,6-12)5-11-4-2-1-3-7(13)14/h11-12H,1-6H2,(H,13,14).
What are the key properties of 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid?
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid has a molecular weight of 211.21 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid is sourced from PubChem (CID 106178221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).