ethyl (4R)-4-fluoro-5-(propylamino)pentanoate

C10H20FNO2 — CID 134297721

IUPACethyl (4R)-4-fluoro-5-(propylamino)pentanoate
SMILESCCCNC[C@H](F)CCC(=O)OCC
InChIInChI=1S/C10H20FNO2/c1-3-7-12-8-9(11)5-6-10(13)14-4-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyDCHKJWSBWJHHBZ-SECBINFHSA-N
MW205.27 g/mol
LogP1.67
Rot. Bonds8

About ethyl (4R)-4-fluoro-5-(propylamino)pentanoate

ethyl (4R)-4-fluoro-5-(propylamino)pentanoate (PubChem CID 134297721) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is ethyl (4R)-4-fluoro-5-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl (4R)-4-fluoro-5-(propylamino)pentanoate
PubChem CID134297721
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Nameethyl (4R)-4-fluoro-5-(propylamino)pentanoate
SMILESCCCNC[C@H](F)CCC(=O)OCC
InChIInChI=1S/C10H20FNO2/c1-3-7-12-8-9(11)5-6-10(13)14-4-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyDCHKJWSBWJHHBZ-SECBINFHSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
ethyl 4-(2-ethylhexylamino)butanoate
CID 60683102
diethyl (2S)-2-methylpentanedioate
CID 89120789
2-amino-3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid
CID 103245375
ethyl 4-amino-5-fluoropentanoate
CID 13477556
diethyl 4-(methylamino)heptanedioate
CID 88543894
ethyl 5-amino-4-methyloctanoate
CID 174963331
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
diethyl 4-iodoheptanedioate
CID 102577942

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-fluoro-5-(propylamino)pentanoate?
The IUPAC name of ethyl (4R)-4-fluoro-5-(propylamino)pentanoate (CID 134297721) is ethyl (4R)-4-fluoro-5-(propylamino)pentanoate.
What is the SMILES notation for ethyl (4R)-4-fluoro-5-(propylamino)pentanoate?
The canonical SMILES for ethyl (4R)-4-fluoro-5-(propylamino)pentanoate is CCCNC[C@H](F)CCC(=O)OCC.
What is the InChIKey of ethyl (4R)-4-fluoro-5-(propylamino)pentanoate?
The InChIKey is DCHKJWSBWJHHBZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-3-7-12-8-9(11)5-6-10(13)14-4-2/h9,12H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (4R)-4-fluoro-5-(propylamino)pentanoate?
ethyl (4R)-4-fluoro-5-(propylamino)pentanoate has a molecular weight of 205.27 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-fluoro-5-(propylamino)pentanoate is sourced from PubChem (CID 134297721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).