(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C11H19NO4 — CID 141287520

IUPAC(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)8-6-7(9(13)14)4-5-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyDBDOBZMRMBVZBX-YUMQZZPRSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds2

About (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 141287520) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID141287520
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)8-6-7(9(13)14)4-5-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyDBDOBZMRMBVZBX-YUMQZZPRSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-rel-Piperidine-2,4-dicarboxylic acid
CID 13353755
trans-Piperidine-2,4-dicarboxylic acid
CID 13353756
(2S,4S)-piperidine-2,4-dicarboxylic acid
CID 44278261
L-Glutamic acid, N-(1,5-anhydro-2,4-dideoxy-3-C-methyl-L-threo-pentitol-2-yl)-
CID 5747875
2,4-Piperidinedicarboxylic acid
CID 135104
rac-(2R,4S)-1,2-bis((tert-butoxy)carbonyl)piperidine-4-carboxylic acid
CID 122163878
Dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
CID 91293083
Dimethyl cis-4-hydroxymethylpiperidine-2,6-dicarboxylate
CID 91294991
4-(3-Fluoropropoxymethyl)piperidine-2-carboxylic acid
CID 18446264
4-Fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 162523043
cis-4-Methoxycarbonyl-2-piperidinecarboxylic acid
CID 13353754
cis-2,4-Piperidinedicarboxylic acid hydrochloride
CID 129796270

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 141287520) is (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1.
What is the InChIKey of (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is DBDOBZMRMBVZBX-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)8-6-7(9(13)14)4-5-12-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 141287520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).