4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid

C12H24N2O3 — CID 66820004

IUPAC4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
SMILESCOC1C(CN)CCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)10-9(17-4)8(7-13)5-6-14(10)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyQLPGIUPWQNOZST-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.37
Rot. Bonds2

About 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid

4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid (PubChem CID 66820004) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
PubChem CID66820004
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
SMILESCOC1C(CN)CCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)10-9(17-4)8(7-13)5-6-14(10)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyQLPGIUPWQNOZST-UHFFFAOYSA-N
XLogP1.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 66906808
(2S)-2-tert-butyl-3-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
CID 176886938
(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
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-(hydroxymethyl)piperidine-1-carboxylic acid
CID 67650436
(3R,4R)-4-[(1S)-1-aminoethyl]-2-tert-butyl-3-methylpiperidine-1-carboxylic acid
CID 166745497
2-tert-butyl-3-(ethylsulfonylamino)pyrrolidine-1-carboxylic acid
CID 175489037
2-tert-butyl-3-piperazin-1-ylpyrrolidine-1-carboxylic acid
CID 142685319
(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
CID 66578004
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid (CID 66820004) is 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid is COC1C(CN)CCN(C(=O)O)C1C(C)(C)C.
What is the InChIKey of 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid?
The InChIKey is QLPGIUPWQNOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)10-9(17-4)8(7-13)5-6-14(10)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid?
4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 66820004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).