2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid

C14H26N2O4 — CID 107256740

IUPAC2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
SMILESCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(12(17)18)15-11-7-6-8-16(10(11)2)13(19)20-14(3,4)5/h9-11,15H,6-8H2,1-5H3,(H,17,18)
InChIKeyZZVKOLPTFNLGPK-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds3

About 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid

2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid (PubChem CID 107256740) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
PubChem CID107256740
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
SMILESCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(12(17)18)15-11-7-6-8-16(10(11)2)13(19)20-14(3,4)5/h9-11,15H,6-8H2,1-5H3,(H,17,18)
InChIKeyZZVKOLPTFNLGPK-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
CID 104955728
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769
tert-butyl 2-methyl-3-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 104955738
tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
tert-butyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]piperidine-1-carboxylate
CID 107256654
tert-butyl 3-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 107256789
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 104955727
tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 104955758

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid?
The IUPAC name of 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid (CID 107256740) is 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid?
The canonical SMILES for 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid is CC(NC1CCCN(C(=O)OC(C)(C)C)C1C)C(=O)O.
What is the InChIKey of 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid?
The InChIKey is ZZVKOLPTFNLGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(12(17)18)15-11-7-6-8-16(10(11)2)13(19)20-14(3,4)5/h9-11,15H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid?
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid is sourced from PubChem (CID 107256740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).