(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid

C14H15FN2O4 — CID 107829734

IUPAC(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1F)C(=O)O
InChIInChI=1S/C14H15FN2O4/c15-10-4-2-1-3-9(10)5-8-13(19)17-11(14(20)21)6-7-12(16)18/h1-5,8,11H,6-7H2,(H2,16,18)(H,17,19)(H,20,21)/b8-5+/t11-/m1/s1
InChIKeyYYUXFEOSLWVVRL-AYLMVEPYSA-N
MW294.28 g/mol
LogP0.67
Rot. Bonds7

About (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid (PubChem CID 107829734) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
PubChem CID107829734
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1F)C(=O)O
InChIInChI=1S/C14H15FN2O4/c15-10-4-2-1-3-9(10)5-8-13(19)17-11(14(20)21)6-7-12(16)18/h1-5,8,11H,6-7H2,(H2,16,18)(H,17,19)(H,20,21)/b8-5+/t11-/m1/s1
InChIKeyYYUXFEOSLWVVRL-AYLMVEPYSA-N
XLogP0.67
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanedioic acid
CID 60657043
2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid
CID 43630603
(2S)-6-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]hexanoic acid;hydrochloride
CID 67130502
2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]butanedioic acid
CID 78910331
2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid
CID 43238672
(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanediamide
CID 166919857
methyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277808
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
CID 78972924
4-amino-2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-4-oxobutanoic acid
CID 43240229
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
2-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid
CID 43630606
(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
CID 112674420

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid (CID 107829734) is (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid?
The InChIKey is YYUXFEOSLWVVRL-AYLMVEPYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-10-4-2-1-3-9(10)5-8-13(19)17-11(14(20)21)6-7-12(16)18/h1-5,8,11H,6-7H2,(H2,16,18)(H,17,19)(H,20,21)/b8-5+/t11-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid has a molecular weight of 294.28 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).