2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid

C18H24N2O6 — CID 67570091

IUPAC2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid
SMILESC[C@H](NC(=O)COC1CCNCC1)C(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H24N2O6/c1-12(20-16(21)10-25-15-6-8-19-9-7-15)18(24)13-2-4-14(5-3-13)26-11-17(22)23/h2-5,12,15,19H,6-11H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1
InChIKeyIUDIRQSMDHBKLU-LBPRGKRZSA-N
MW364.40 g/mol
LogP0.61
Rot. Bonds9

About 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid

2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid (PubChem CID 67570091) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid
PubChem CID67570091
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid
SMILESC[C@H](NC(=O)COC1CCNCC1)C(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H24N2O6/c1-12(20-16(21)10-25-15-6-8-19-9-7-15)18(24)13-2-4-14(5-3-13)26-11-17(22)23/h2-5,12,15,19H,6-11H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1
InChIKeyIUDIRQSMDHBKLU-LBPRGKRZSA-N
XLogP0.61
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 81368842
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876747
N-(3-methylbutan-2-yl)-2-piperidin-4-yloxyacetamide
CID 61489309
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 81355328
2-piperidin-4-yloxy-N-(4-propoxyphenyl)acetamide
CID 63876932
[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate
CID 67651731
2-[4-[(2S)-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)propanoyl]phenoxy]acetic acid;2,2,2-trifluoroacetic acid
CID 67570146
N-[1-(2-fluorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876556
N-[1-(3-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876727
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
N-[(1R)-1-cycloheptylethyl]-2-piperidin-4-yloxyacetamide
CID 81392321
N-(4-methoxybutan-2-yl)-2-piperidin-4-yloxyacetamide
CID 64604853

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid (CID 67570091) is 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid is C[C@H](NC(=O)COC1CCNCC1)C(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid?
The InChIKey is IUDIRQSMDHBKLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-12(20-16(21)10-25-15-6-8-19-9-7-15)18(24)13-2-4-14(5-3-13)26-11-17(22)23/h2-5,12,15,19H,6-11H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid?
2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid has a molecular weight of 364.40 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]phenoxy]acetic acid is sourced from PubChem (CID 67570091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).