1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid

C17H23FN2O4 — CID 56893029

IUPAC1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
SMILESCC(C)[C@@H](N)C(=O)N1CCC(Oc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C17H23FN2O4/c1-11(2)14(19)15(21)20-9-7-17(8-10-20,16(22)23)24-13-6-4-3-5-12(13)18/h3-6,11,14H,7-10,19H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyFKIPBZUMAIWHLH-CQSZACIVSA-N
MW338.38 g/mol
LogP1.63
Rot. Bonds5

About 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid

1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid (PubChem CID 56893029) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
PubChem CID56893029
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
SMILESCC(C)[C@@H](N)C(=O)N1CCC(Oc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C17H23FN2O4/c1-11(2)14(19)15(21)20-9-7-17(8-10-20,16(22)23)24-13-6-4-3-5-12(13)18/h3-6,11,14H,7-10,19H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyFKIPBZUMAIWHLH-CQSZACIVSA-N
XLogP1.63
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylphenoxy)-1-[(2S)-2-pyrrol-1-ylpropanoyl]piperidine-4-carboxylic acid
CID 95867518
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56894387
4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56882724
(2S)-2-amino-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119282161
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 69186107
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 62232341
(2S)-2-amino-3-methyl-1-[4-[2-(2-methylphenoxy)propanoyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119331024
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2S,3R)-2-amino-1-(4,4-difluoropiperidin-1-yl)-3-phenylmethoxybutan-1-one
CID 164604922

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid (CID 56893029) is 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid is CC(C)[C@@H](N)C(=O)N1CCC(Oc2ccccc2F)(C(=O)O)CC1.
What is the InChIKey of 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
The InChIKey is FKIPBZUMAIWHLH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-11(2)14(19)15(21)20-9-7-17(8-10-20,16(22)23)24-13-6-4-3-5-12(13)18/h3-6,11,14H,7-10,19H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 56893029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).