(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid

C15H20N2O3 — CID 81120276

IUPAC(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
SMILESNC(CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-13(11-5-2-1-3-6-11)9-14(18)17-8-4-7-12(10-17)15(19)20/h1-3,5-6,12-13H,4,7-10,16H2,(H,19,20)/t12-,13?/m1/s1
InChIKeyLRKHODASRFQTNV-PZORYLMUSA-N
MW276.34 g/mol
LogP1.40
Rot. Bonds4

About (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid

(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 81120276) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
PubChem CID81120276
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
SMILESNC(CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-13(11-5-2-1-3-6-11)9-14(18)17-8-4-7-12(10-17)15(19)20/h1-3,5-6,12-13H,4,7-10,16H2,(H,19,20)/t12-,13?/m1/s1
InChIKeyLRKHODASRFQTNV-PZORYLMUSA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
1-(3-amino-3-phenylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119953217
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 119953477
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 119167632
3-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952465
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid (CID 81120276) is (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid is NC(CC(=O)N1CCC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is LRKHODASRFQTNV-PZORYLMUSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13(11-5-2-1-3-6-11)9-14(18)17-8-4-7-12(10-17)15(19)20/h1-3,5-6,12-13H,4,7-10,16H2,(H,19,20)/t12-,13?/m1/s1.
What are the key properties of (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid?
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).