(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid

C12H21NO4 — CID 162368050

IUPAC(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
SMILESC[C@@H]1CCN(C(=O)O)C[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8-5-6-13(11(15)16)7-9(8)10(14)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyDMPCDKMHEWKAAR-BDAKNGLRSA-N
MW243.30 g/mol
LogP1.96
Rot. Bonds1

About (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid

(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid (PubChem CID 162368050) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
PubChem CID162368050
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
SMILESC[C@@H]1CCN(C(=O)O)C[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8-5-6-13(11(15)16)7-9(8)10(14)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyDMPCDKMHEWKAAR-BDAKNGLRSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbonochloridoyl-4-methylpiperidine-1-carboxylic acid
CID 91451073
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
tert-butyl 3-[3,3-bis(methylsulfanyl)prop-2-enoyl]-4-methylpiperidine-1-carboxylate
CID 139481926
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
5,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-1-carboxylic acid
CID 123363014
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 139434729
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid (CID 162368050) is (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid is C[C@@H]1CCN(C(=O)O)C[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
The InChIKey is DMPCDKMHEWKAAR-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8-5-6-13(11(15)16)7-9(8)10(14)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid?
(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 162368050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).