1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid

C14H23NO5 — CID 115052268

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid
SMILESCC(=O)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO5/c1-10(16)9-14(11(17)18)5-7-15(8-6-14)12(19)20-13(2,3)4/h5-9H2,1-4H3,(H,17,18)
InChIKeyLXHTXAUYDCFENM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.07
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid (PubChem CID 115052268) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid
PubChem CID115052268
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid
SMILESCC(=O)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO5/c1-10(16)9-14(11(17)18)5-7-15(8-6-14)12(19)20-13(2,3)4/h5-9H2,1-4H3,(H,17,18)
InChIKeyLXHTXAUYDCFENM-UHFFFAOYSA-N
XLogP2.07
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid (CID 115052268) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid is CC(=O)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid?
The InChIKey is LXHTXAUYDCFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10(16)9-14(11(17)18)5-7-15(8-6-14)12(19)20-13(2,3)4/h5-9H2,1-4H3,(H,17,18).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-oxopropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115052268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).