(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

C16H19NO6 — CID 125455789

IUPAC(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESO=C(O)C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO6/c18-14(19)9-12-7-4-8-13(15(20)21)17(12)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,18,19)(H,20,21)/t12-,13+/m1/s1
InChIKeyGCSOBKIZXRXOLO-OLZOCXBDSA-N
MW321.33 g/mol
LogP2.11
Rot. Bonds5

About (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 125455789) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
PubChem CID125455789
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESO=C(O)C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO6/c18-14(19)9-12-7-4-8-13(15(20)21)17(12)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,18,19)(H,20,21)/t12-,13+/m1/s1
InChIKeyGCSOBKIZXRXOLO-OLZOCXBDSA-N
XLogP2.11
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6S)-6-[(1R)-1-hydroxypropyl]-1-phenylmethoxycarbonylpiperidin-2-yl]acetic acid
CID 10640527
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
1-O-benzyl 2-O-methyl 6-(2,2-dimethoxyethyl)piperidine-1,2-dicarboxylate
CID 67551008
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2R,6S)-2-ethenyl-6-prop-2-enylpiperidine-1-carboxylate
CID 11161942
benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(1R,4S)-7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 86702797
1-O-benzyl 2-O-methyl (2S,5R)-5-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 15382863
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 10108536
benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
CID 102084079

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (CID 125455789) is (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is O=C(O)C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1.
What is the InChIKey of (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is GCSOBKIZXRXOLO-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H19NO6/c18-14(19)9-12-7-4-8-13(15(20)21)17(12)16(22)23-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,18,19)(H,20,21)/t12-,13+/m1/s1.
What are the key properties of (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 125455789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).