3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid

C16H24N2O2 — CID 134420583

IUPAC3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
SMILESC[C@H](N[C@H]1CNCCC1CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-12(13-5-3-2-4-6-13)18-15-11-17-10-9-14(15)7-8-16(19)20/h2-6,12,14-15,17-18H,7-11H2,1H3,(H,19,20)/t12-,14?,15-/m0/s1
InChIKeyUYUOLTMVUHYGQT-JDLVMGNASA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds6

About 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid

3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid (PubChem CID 134420583) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
PubChem CID134420583
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
SMILESC[C@H](N[C@H]1CNCCC1CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-12(13-5-3-2-4-6-13)18-15-11-17-10-9-14(15)7-8-16(19)20/h2-6,12,14-15,17-18H,7-11H2,1H3,(H,19,20)/t12-,14?,15-/m0/s1
InChIKeyUYUOLTMVUHYGQT-JDLVMGNASA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804
(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine
CID 149434678
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944
(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
CID 141266125
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
CID 141050342
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid
CID 11426718
methyl 3-[(1R,2S,5S)-5-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]cyclohexyl]propanoate
CID 57063203

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid (CID 134420583) is 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid is C[C@H](N[C@H]1CNCCC1CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid?
The InChIKey is UYUOLTMVUHYGQT-JDLVMGNASA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-5-3-2-4-6-13)18-15-11-17-10-9-14(15)7-8-16(19)20/h2-6,12,14-15,17-18H,7-11H2,1H3,(H,19,20)/t12-,14?,15-/m0/s1.
What are the key properties of 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid?
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 134420583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).