(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid

C16H14FNO6 — CID 40814315

IUPAC(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)O
InChIInChI=1S/C16H14FNO6/c17-10-3-1-9(2-4-10)12-6-7-13(24-12)15(21)18-11(16(22)23)5-8-14(19)20/h1-4,6-7,11H,5,8H2,(H,18,21)(H,19,20)(H,22,23)/t11-/m1/s1
InChIKeyUJQZZAQUNGFQML-LLVKDONJSA-N
MW335.29 g/mol
LogP2.13
Rot. Bonds7

About (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid

(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid (PubChem CID 40814315) has the molecular formula C16H14FNO6 and a molecular weight of 335.29 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
PubChem CID40814315
Molecular FormulaC16H14FNO6
Molecular Weight335.29 g/mol
Exact Mass335.08
IUPAC Name(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)O
InChIInChI=1S/C16H14FNO6/c17-10-3-1-9(2-4-10)12-6-7-13(24-12)15(21)18-11(16(22)23)5-8-14(19)20/h1-4,6-7,11H,5,8H2,(H,18,21)(H,19,20)(H,22,23)/t11-/m1/s1
InChIKeyUJQZZAQUNGFQML-LLVKDONJSA-N
XLogP2.13
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
(2S)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 94317037
methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
CID 3646174
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid
CID 40815364
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanedioic acid
CID 60830807
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 51475340
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
(2S)-2-[(4-fluoro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 107013468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid?
The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid (CID 40814315) is (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid is O=C(O)CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid?
The InChIKey is UJQZZAQUNGFQML-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14FNO6/c17-10-3-1-9(2-4-10)12-6-7-13(24-12)15(21)18-11(16(22)23)5-8-14(19)20/h1-4,6-7,11H,5,8H2,(H,18,21)(H,19,20)(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid?
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid has a molecular weight of 335.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 40814315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).