3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid

C17H30N2O4 — CID 107241554

IUPAC3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-9-5-8-14(11-19)18-13-7-4-6-12(10-13)15(20)21/h12-14,18H,4-11H2,1-3H3,(H,20,21)
InChIKeyPANHPNXHKQFRFQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.62
Rot. Bonds3

About 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 107241554) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID107241554
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-9-5-8-14(11-19)18-13-7-4-6-12(10-13)15(20)21/h12-14,18H,4-11H2,1-3H3,(H,20,21)
InChIKeyPANHPNXHKQFRFQ-UHFFFAOYSA-N
XLogP2.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[(2,6-dimethyloxan-4-yl)amino]azepane-1-carboxylate
CID 103923028
tert-butyl 3-[(3-aminocyclobutyl)amino]azepane-1-carboxylate
CID 107249368
tert-butyl 3-[(3-propan-2-ylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 107448863
tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate
CID 103948338
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 103917519
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 3-(piperidin-3-ylamino)azepane-1-carboxylate
CID 107249352
tert-butyl 4-[(3-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103981515

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid (CID 107241554) is 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(NC2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is PANHPNXHKQFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-9-5-8-14(11-19)18-13-7-4-6-12(10-13)15(20)21/h12-14,18H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid?
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107241554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).