(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid

C16H24N2O3 — CID 54418063

IUPAC(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NOCCN1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-16(20)15(13-14-7-3-1-4-8-14)17-21-12-11-18-9-5-2-6-10-18/h1,3-4,7-8,15,17H,2,5-6,9-13H2,(H,19,20)/t15-/m0/s1
InChIKeyVYVKSUHBWLFRCI-HNNXBMFYSA-N
MW292.38 g/mol
LogP1.69
Rot. Bonds8

About (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid

(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid (PubChem CID 54418063) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid
PubChem CID54418063
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NOCCN1CCCCC1
InChIInChI=1S/C16H24N2O3/c19-16(20)15(13-14-7-3-1-4-8-14)17-21-12-11-18-9-5-2-6-10-18/h1,3-4,7-8,15,17H,2,5-6,9-13H2,(H,19,20)/t15-/m0/s1
InChIKeyVYVKSUHBWLFRCI-HNNXBMFYSA-N
XLogP1.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
CID 174617548
2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432
3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
CID 58748865
3-methylbutyl 3-phenyl-2-(2-piperidin-1-ylethylamino)propanoate
CID 110185924
CID 59686548
CID 59686548
3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081160
(2S)-3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081161
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
(2S)-2-[3-[benzyl(methyl)amino]propoxyamino]-3-phenylpropanoic acid
CID 54167704
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid (CID 54418063) is (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid is O=C(O)[C@H](Cc1ccccc1)NOCCN1CCCCC1.
What is the InChIKey of (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid?
The InChIKey is VYVKSUHBWLFRCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-16(20)15(13-14-7-3-1-4-8-14)17-21-12-11-18-9-5-2-6-10-18/h1,3-4,7-8,15,17H,2,5-6,9-13H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid?
(2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(2-piperidin-1-ylethoxyamino)propanoic acid is sourced from PubChem (CID 54418063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).