(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid

C16H20N2O5 — CID 122115605

IUPAC(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H20N2O5/c1-10-13(16(21)22)3-2-8-18(10)14(19)9-23-12-6-4-11(5-7-12)15(17)20/h4-7,10,13H,2-3,8-9H2,1H3,(H2,17,20)(H,21,22)/t10-,13-/m1/s1
InChIKeyIQYIBYLMWPQAFC-ZWNOBZJWSA-N
MW320.35 g/mol
LogP0.88
Rot. Bonds5

About (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122115605) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122115605
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H20N2O5/c1-10-13(16(21)22)3-2-8-18(10)14(19)9-23-12-6-4-11(5-7-12)15(17)20/h4-7,10,13H,2-3,8-9H2,1H3,(H2,17,20)(H,21,22)/t10-,13-/m1/s1
InChIKeyIQYIBYLMWPQAFC-ZWNOBZJWSA-N
XLogP0.88
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-methyl-1-[2-(4-nitrophenoxy)acetyl]piperidine-3-carboxylic acid
CID 122114872
4-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]benzamide
CID 8566227
(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040561
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
(2S,3S)-1-[3-(4-ethoxyphenyl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115501
1-[2-(3,4-dimethylphenoxy)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371658
4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide
CID 71936127
(2R,3R)-1-[2-(2,5-dichlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115150

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid (CID 122115605) is (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)COc1ccc(C(N)=O)cc1.
What is the InChIKey of (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is IQYIBYLMWPQAFC-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-10-13(16(21)22)3-2-8-18(10)14(19)9-23-12-6-4-11(5-7-12)15(17)20/h4-7,10,13H,2-3,8-9H2,1H3,(H2,17,20)(H,21,22)/t10-,13-/m1/s1.
What are the key properties of (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122115605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).