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

C16H14FNO5S — CID 40815364

IUPAC(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)O
InChIInChI=1S/C16H14FNO5S/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
InChIKeyUPMGRXKKEWLFIN-LLVKDONJSA-N
MW351.36 g/mol
LogP2.60
Rot. Bonds7

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

(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid (PubChem CID 40815364) has the molecular formula C16H14FNO5S and a molecular weight of 351.36 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid
PubChem CID40815364
Molecular FormulaC16H14FNO5S
Molecular Weight351.36 g/mol
Exact Mass351.06
IUPAC Name(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)O
InChIInChI=1S/C16H14FNO5S/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
InChIKeyUPMGRXKKEWLFIN-LLVKDONJSA-N
XLogP2.60
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid
CID 143394412
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
(2S)-2-[[2-[[(2S)-2-[[5-[5-[5-[5-[[(3R)-1-[[1-[[(1S)-1,3-dicarboxypropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
CID 138705250
(2S)-2-[(4-fluoro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 107013468
2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548114
5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 43176070
5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 92771361
(2S)-2-[(2,4,6-trifluorobenzoyl)amino]pentanedioic acid
CID 65101239
(2S)-2-[[(2S)-3-methyl-2-[[5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl]amino]butanoyl]amino]pentanedioic acid
CID 102460369

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid?
The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid (CID 40815364) is (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid is O=C(O)CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid?
The InChIKey is UPMGRXKKEWLFIN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14FNO5S/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)thiophene-2-carbonyl]amino]pentanedioic acid?
(2R)-2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]pentanedioic acid has a molecular weight of 351.36 g/mol, XLogP of 2.60, 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)thiophene-2-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 40815364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).