2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid

C23H27NO4 — CID 7135426

IUPAC2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESCc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccc1)C2
InChIInChI=1S/C23H27NO4/c1-14-11-21(28-13-22(25)26)16(3)20-12-17(9-10-19(14)20)15(2)23(27)24-18-7-5-4-6-8-18/h4-8,11,15,17H,9-10,12-13H2,1-3H3,(H,24,27)(H,25,26)/t15-,17+/m0/s1
InChIKeyGWBGXNMBLDHZAV-DOTOQJQBSA-N
MW381.47 g/mol
LogP4.15
Rot. Bonds6

About 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid

2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (PubChem CID 7135426) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
PubChem CID7135426
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESCc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccc1)C2
InChIInChI=1S/C23H27NO4/c1-14-11-21(28-13-22(25)26)16(3)20-12-17(9-10-19(14)20)15(2)23(27)24-18-7-5-4-6-8-18/h4-8,11,15,17H,9-10,12-13H2,1-3H3,(H,24,27)(H,25,26)/t15-,17+/m0/s1
InChIKeyGWBGXNMBLDHZAV-DOTOQJQBSA-N
XLogP4.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 23651410
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
CID 134787221
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate
CID 7981984
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607

Frequently Asked Questions

What is the IUPAC name of 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (CID 7135426) is 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is Cc1cc(OCC(=O)O)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccc1)C2.
What is the InChIKey of 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The InChIKey is GWBGXNMBLDHZAV-DOTOQJQBSA-N. The full InChI is InChI=1S/C23H27NO4/c1-14-11-21(28-13-22(25)26)16(3)20-12-17(9-10-19(14)20)15(2)23(27)24-18-7-5-4-6-8-18/h4-8,11,15,17H,9-10,12-13H2,1-3H3,(H,24,27)(H,25,26)/t15-,17+/m0/s1.
What are the key properties of 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid has a molecular weight of 381.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is sourced from PubChem (CID 7135426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).