bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine

C32H38N2O6 — CID 76968825

IUPACbis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
SMILESC1CNCCN1.COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChIInChI=1S/2C14H14O3.C4H10N2/c2*1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-2-6-4-3-5-1/h2*3-9H,1-2H3,(H,15,16);5-6H,1-4H2/t2*9-;/m00./s1
InChIKeyKRDCGZGYWRCHNN-NAWJVIAPSA-N
MW546.66 g/mol
LogP5.25
Rot. Bonds6

About bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine

bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine (PubChem CID 76968825) has the molecular formula C32H38N2O6 and a molecular weight of 546.66 g/mol. Its IUPAC name is bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine.

Molecular Properties

Compound Namebis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
PubChem CID76968825
Molecular FormulaC32H38N2O6
Molecular Weight546.66 g/mol
Exact Mass546.27
IUPAC Namebis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
SMILESC1CNCCN1.COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChIInChI=1S/2C14H14O3.C4H10N2/c2*1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-2-6-4-3-5-1/h2*3-9H,1-2H3,(H,15,16);5-6H,1-4H2/t2*9-;/m00./s1
InChIKeyKRDCGZGYWRCHNN-NAWJVIAPSA-N
XLogP5.25
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 131744188
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
CID 175762136
(2R)-2-(6-sulfooxynaphthalen-2-yl)propanoic acid
CID 102017270
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine?
The IUPAC name of bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine (CID 76968825) is bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine.
What is the SMILES notation for bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine?
The canonical SMILES for bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine is C1CNCCN1.COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.
What is the InChIKey of bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine?
The InChIKey is KRDCGZGYWRCHNN-NAWJVIAPSA-N. The full InChI is InChI=1S/2C14H14O3.C4H10N2/c2*1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-2-6-4-3-5-1/h2*3-9H,1-2H3,(H,15,16);5-6H,1-4H2/t2*9-;/m00./s1.
What are the key properties of bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine?
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine has a molecular weight of 546.66 g/mol, XLogP of 5.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine is sourced from PubChem (CID 76968825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).