(2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid

C8H13NO4 — CID 13353754

IUPAC(2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid
SMILESCOC(=O)[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyMHYVAKCKKGEZRI-NTSWFWBYSA-N
MW187.19 g/mol
LogP-0.39
Rot. Bonds2

About (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid

(2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 13353754) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid
PubChem CID13353754
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid
SMILESCOC(=O)[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1
InChIKeyMHYVAKCKKGEZRI-NTSWFWBYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
(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
(2S,4S)-4-Methylpiperidine-2-carboxylic acid
CID 44631639
2,4-Piperidinedicarboxylic acid
CID 135104
4-Methylpiperidine-2-carboxylic acid
CID 4478243
(2S,4R)-4-methylpipecolic acid
CID 56976029
(2R,4S)-4-Methylpiperidine-2-carboxylic acid
CID 11008516
(2S,4R)-4-Ethylpiperidine-2-carboxylic acid
CID 45082205
Dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
CID 91293083
Dimethyl cis-4-hydroxymethylpiperidine-2,6-dicarboxylate
CID 91294991

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid (CID 13353754) is (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid is COC(=O)[C@H]1CCN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is MHYVAKCKKGEZRI-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid?
(2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 13353754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).