2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid

C16H30N2O5 — CID 107252354

IUPAC2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid
SMILESCCC(NCCOC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C16H30N2O5/c1-5-13(14(19)20)17-8-11-22-12-6-9-18(10-7-12)15(21)23-16(2,3)4/h12-13,17H,5-11H2,1-4H3,(H,19,20)
InChIKeyJXMOJFNXHLLPNL-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.86
Rot. Bonds7

About 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid

2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid (PubChem CID 107252354) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid
PubChem CID107252354
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid
SMILESCCC(NCCOC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C16H30N2O5/c1-5-13(14(19)20)17-8-11-22-12-6-9-18(10-7-12)15(21)23-16(2,3)4/h12-13,17H,5-11H2,1-4H3,(H,19,20)
InChIKeyJXMOJFNXHLLPNL-UHFFFAOYSA-N
XLogP1.86
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid with MolForge

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Related Compounds

tert-butyl 4-[2-(1,1-difluoropropan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 107252356
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-[2-(3-methylsulfanylpropylamino)ethoxy]piperidine-1-carboxylate
CID 107252389
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-[3-[(3-amino-3-methylbutyl)amino]propoxy]piperidine-1-carboxylate
CID 112753939
tert-butyl 4-[2-(oxolan-2-ylmethylamino)ethoxy]piperidine-1-carboxylate
CID 107252367
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid?
The IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid (CID 107252354) is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid.
What is the SMILES notation for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid?
The canonical SMILES for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid is CCC(NCCOC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid?
The InChIKey is JXMOJFNXHLLPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-5-13(14(19)20)17-8-11-22-12-6-9-18(10-7-12)15(21)23-16(2,3)4/h12-13,17H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid?
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid has a molecular weight of 330.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethylamino]butanoic acid is sourced from PubChem (CID 107252354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).