2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid

C11H21NO3 — CID 67650436

IUPAC2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1C(CO)CCCN1C(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,3)9-8(7-13)5-4-6-12(9)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyPUCMBPMDRMSCSI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.78
Rot. Bonds1

About 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid

2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid (PubChem CID 67650436) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid
PubChem CID67650436
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1C(CO)CCCN1C(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,3)9-8(7-13)5-4-6-12(9)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyPUCMBPMDRMSCSI-UHFFFAOYSA-N
XLogP1.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyl-3-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
CID 176886938
(2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 66906808
(2S)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 57368640
(3S)-3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 45358665
2-tert-butyl-3-formylpyrrolidine-1-carboxylic acid
CID 87167744
(3S)-2-tert-butyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 86616786
2-tert-butyl-3-piperazin-1-ylpyrrolidine-1-carboxylic acid
CID 142685319
4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
CID 66820004
2-tert-butyl-4-hydroxyazepane-1-carboxylic acid
CID 69028711
(3S,4S)-2-tert-butyl-3-fluoro-4-hydroxypiperidine-1-carboxylic acid
CID 118167751
(2S,3S)-2-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopropyl]pyrrolidine-1-carboxylic acid
CID 66614397
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid (CID 67650436) is 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid is CC(C)(C)C1C(CO)CCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid?
The InChIKey is PUCMBPMDRMSCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)9-8(7-13)5-4-6-12(9)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid?
2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(hydroxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67650436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).