(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride

C7H14FNO2 — CID 57086405

IUPAC(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride
SMILESCCCCN[C@H](CO)C(=O)F
InChIInChI=1S/C7H14FNO2/c1-2-3-4-9-6(5-10)7(8)11/h6,9-10H,2-5H2,1H3/t6-/m1/s1
InChIKeyLQLAJQKHZHOBGW-ZCFIWIBFSA-N
MW163.19 g/mol
LogP0.23
Rot. Bonds6

About (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride

(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride (PubChem CID 57086405) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride.

Molecular Properties

Compound Name(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride
PubChem CID57086405
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride
SMILESCCCCN[C@H](CO)C(=O)F
InChIInChI=1S/C7H14FNO2/c1-2-3-4-9-6(5-10)7(8)11/h6,9-10H,2-5H2,1H3/t6-/m1/s1
InChIKeyLQLAJQKHZHOBGW-ZCFIWIBFSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-hydroxy-3-(methylamino)butan-2-one
CID 45085120
Butylserine
CID 54072878
Propylserine
CID 55287062
(2S)-2-(butylamino)-3-hydroxypropanoyl fluoride
CID 57207146
2-(Butylamino)-3-hydroxypropanoyl fluoride
CID 76412875
Methyl 2-(2-fluoropropylamino)-3-hydroxypropanoate
CID 90391056
4-Hydroxy-3-(propan-2-ylamino)butan-2-one
CID 18345341
(2S)-3-hydroxy-2-(methylamino)propanal
CID 18644885
3-Hydroxy-2-(methylamino)propanal
CID 20402311
2-(Butylamino)-3-hydroxypropanoic acid
CID 22359178
4-Hydroxy-3-(methylamino)butan-2-one
CID 22981506
(2R)-3-hydroxy-2-(methylamino)propanal
CID 54361606

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride?
The IUPAC name of (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride (CID 57086405) is (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride.
What is the SMILES notation for (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride?
The canonical SMILES for (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride is CCCCN[C@H](CO)C(=O)F.
What is the InChIKey of (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride?
The InChIKey is LQLAJQKHZHOBGW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-2-3-4-9-6(5-10)7(8)11/h6,9-10H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride?
(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride has a molecular weight of 163.19 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(butylamino)-3-hydroxypropanoyl fluoride is sourced from PubChem (CID 57086405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).