1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid

C14H23NO4 — CID 83903171

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C1(C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-5-4-6-10(15)14(7-8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyJVTZDHMQPMJADV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.64
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83903171) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83903171
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCCC1C1(C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-5-4-6-10(15)14(7-8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyJVTZDHMQPMJADV-UHFFFAOYSA-N
XLogP2.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid (CID 83903171) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCCCC1C1(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is JVTZDHMQPMJADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-5-4-6-10(15)14(7-8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83903171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).