3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

C11H20N2O4 — CID 4072625

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCCNC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyHOLNCBNWYPBBFQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (PubChem CID 4072625) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
PubChem CID4072625
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCCNC1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyHOLNCBNWYPBBFQ-UHFFFAOYSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (CID 4072625) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)NC1CCCNC1C(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The InChIKey is HOLNCBNWYPBBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 4072625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).