(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid

C15H22N2O4 — CID 66513276

IUPAC(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
SMILESCOc1cc(N2CCCCC2)c(OC)cc1[C@H](N)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-20-12-9-11(17-6-4-3-5-7-17)13(21-2)8-10(12)14(16)15(18)19/h8-9,14H,3-7,16H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyQFPXPKTWYIBGGC-AWEZNQCLSA-N
MW294.35 g/mol
LogP1.78
Rot. Bonds5

About (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid

(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid (PubChem CID 66513276) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
PubChem CID66513276
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
SMILESCOc1cc(N2CCCCC2)c(OC)cc1[C@H](N)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-20-12-9-11(17-6-4-3-5-7-17)13(21-2)8-10(12)14(16)15(18)19/h8-9,14H,3-7,16H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyQFPXPKTWYIBGGC-AWEZNQCLSA-N
XLogP1.78
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 117473385
2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 66516038
2-amino-2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]acetic acid
CID 117359338
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117490712
2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43803535
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-3-methylbutanoic acid
CID 117492377
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid (CID 66513276) is (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid is COc1cc(N2CCCCC2)c(OC)cc1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid?
The InChIKey is QFPXPKTWYIBGGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-12-9-11(17-6-4-3-5-7-17)13(21-2)8-10(12)14(16)15(18)19/h8-9,14H,3-7,16H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid?
(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid is sourced from PubChem (CID 66513276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).