8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid

C18H34N2O4 — CID 175359647

IUPAC8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(CCCCCCCC(=O)O)C1
InChIInChI=1S/C18H34N2O4/c1-18(2,3)24-17(23)19-15-10-9-13-20(14-15)12-8-6-4-5-7-11-16(21)22/h15H,4-14H2,1-3H3,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeyJSCMXDLSRYPDSO-OAHLLOKOSA-N
MW342.48 g/mol
LogP3.40
Rot. Bonds9

About 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid

8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid (PubChem CID 175359647) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid
PubChem CID175359647
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Name8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(CCCCCCCC(=O)O)C1
InChIInChI=1S/C18H34N2O4/c1-18(2,3)24-17(23)19-15-10-9-13-20(14-15)12-8-6-4-5-7-11-16(21)22/h15H,4-14H2,1-3H3,(H,19,23)(H,21,22)/t15-/m1/s1
InChIKeyJSCMXDLSRYPDSO-OAHLLOKOSA-N
XLogP3.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic 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

tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591
tert-butyl N-[(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]carbamate
CID 176898296
methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium
CID 90806359
tert-butyl N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-3-yl]carbamate
CID 126818578
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
methyl 3-hydroxy-6-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]pyridine-2-carboxylate
CID 166959603
tert-butyl N-[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamate
CID 70931463
3-fluoro-4-[2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]benzoic acid
CID 170458985
2-methyl-5-[2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]benzoic acid
CID 166176301

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid?
The IUPAC name of 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid (CID 175359647) is 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid.
What is the SMILES notation for 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid?
The canonical SMILES for 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid is CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCCCCCC(=O)O)C1.
What is the InChIKey of 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid?
The InChIKey is JSCMXDLSRYPDSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-18(2,3)24-17(23)19-15-10-9-13-20(14-15)12-8-6-4-5-7-11-16(21)22/h15H,4-14H2,1-3H3,(H,19,23)(H,21,22)/t15-/m1/s1.
What are the key properties of 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid?
8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid has a molecular weight of 342.48 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid is sourced from PubChem (CID 175359647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).