2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid

C19H24FN3O4 — CID 122110170

IUPAC2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F
InChIInChI=1S/C19H24FN3O4/c20-16-12-15(4-3-14(16)11-17(24)25)21-18(26)13-5-9-23(10-6-13)19(27)22-7-1-2-8-22/h3-4,12-13H,1-2,5-11H2,(H,21,26)(H,24,25)
InChIKeyCHMXHHTZHAJRJS-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid (PubChem CID 122110170) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
PubChem CID122110170
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F
InChIInChI=1S/C19H24FN3O4/c20-16-12-15(4-3-14(16)11-17(24)25)21-18(26)13-5-9-23(10-6-13)19(27)22-7-1-2-8-22/h3-4,12-13H,1-2,5-11H2,(H,21,26)(H,24,25)
InChIKeyCHMXHHTZHAJRJS-UHFFFAOYSA-N
XLogP2.32
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 122110171
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55802360
N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 91651859
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55960086
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid
CID 122109696
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid (CID 122110170) is 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid?
The InChIKey is CHMXHHTZHAJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c20-16-12-15(4-3-14(16)11-17(24)25)21-18(26)13-5-9-23(10-6-13)19(27)22-7-1-2-8-22/h3-4,12-13H,1-2,5-11H2,(H,21,26)(H,24,25).
What are the key properties of 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid has a molecular weight of 377.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122110170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).