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

C15H27NO4 — CID 70873051

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)CC1(C(=O)OC(C)(C)C)CCN(C(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-11(2)10-15(12(17)20-14(3,4)5)6-8-16(9-7-15)13(18)19/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyVDTCRVOISLSURF-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.13
Rot. Bonds3

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

4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid (PubChem CID 70873051) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
PubChem CID70873051
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCC(C)CC1(C(=O)OC(C)(C)C)CCN(C(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-11(2)10-15(12(17)20-14(3,4)5)6-8-16(9-7-15)13(18)19/h11H,6-10H2,1-5H3,(H,18,19)
InChIKeyVDTCRVOISLSURF-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
4-[(4-carbamoylphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67384770
tert-butyl (3R)-1-amino-3-(hydroxymethyl)pyrrolidine-3-carboxylate
CID 97041552
3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 167720791
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylic acid
CID 66873251
tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
CID 71134902
ditert-butyl carbonate;piperazine-1-carboxylic acid
CID 161485280
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
4-(2-chloroethyl)-4-methoxycarbonylpiperidine-1-carboxylic acid
CID 69179288
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 45073939

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid (CID 70873051) is 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid is CC(C)CC1(C(=O)OC(C)(C)C)CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
The InChIKey is VDTCRVOISLSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)10-15(12(17)20-14(3,4)5)6-8-16(9-7-15)13(18)19/h11H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 70873051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).