4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid

C14H24N2O5 — CID 25250198

IUPAC4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15-10-6-8-16(9-7-10)11(17)4-5-12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySZTHXOJFNXFGLU-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.37
Rot. Bonds4

About 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid

4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 25250198) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
PubChem CID25250198
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15-10-6-8-16(9-7-10)11(17)4-5-12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySZTHXOJFNXFGLU-UHFFFAOYSA-N
XLogP1.37
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
tert-butyl carbamate;4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxobutanoic acid
CID 142587784
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
tert-butyl N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558894
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
tert-butyl N-[(3S)-1-(4-methoxybutanoyl)pyrrolidin-3-yl]carbamate
CID 171063625
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid (CID 25250198) is 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid is CC(C)(C)OC(=O)NC1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is SZTHXOJFNXFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)15-10-6-8-16(9-7-10)11(17)4-5-12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid?
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 300.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 25250198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).