2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid

C15H28N2O5 — CID 138726762

IUPAC2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)NCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H28N2O5/c1-15(2,3)22-14(20)16-7-4-8-17-9-5-12(6-10-17)21-11-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyONCTXQKJQKINSM-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.47
Rot. Bonds7

About 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid

2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid (PubChem CID 138726762) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
PubChem CID138726762
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)NCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H28N2O5/c1-15(2,3)22-14(20)16-7-4-8-17-9-5-12(6-10-17)21-11-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyONCTXQKJQKINSM-UHFFFAOYSA-N
XLogP1.47
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetate
CID 138693308
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 112590618
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl N-[3-[4-(3,4,5-trifluorophenyl)piperidin-1-yl]propyl]carbamate
CID 22729485
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid (CID 138726762) is 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid is CC(C)(C)OC(=O)NCCCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is ONCTXQKJQKINSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-15(2,3)22-14(20)16-7-4-8-17-9-5-12(6-10-17)21-11-13(18)19/h12H,4-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid?
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 316.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 138726762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).