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

C12H21NO4 — CID 91647720

IUPAC(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8-7-9(10(14)15)5-6-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyJYCRXMSJGZWACP-IUCAKERBSA-N
MW243.30 g/mol
LogP2.11
Rot. Bonds1

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

(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 91647720) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID91647720
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8-7-9(10(14)15)5-6-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyJYCRXMSJGZWACP-IUCAKERBSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
7-[(Tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 53488162
1-[(Tert-butoxy)carbonyl]-5-methylpiperidine-2-carboxylic acid
CID 69619394
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 1502006
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085
N-Boc-3-methyl-4-piperidinecarboxylic acid
CID 4248616
3-((2R)-1-((tert-butoxy)carbonyl)piperidin-2-yl)propanoic acid
CID 7145558

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 91647720) is (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is JYCRXMSJGZWACP-IUCAKERBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8-7-9(10(14)15)5-6-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 91647720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).