(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid

C19H29NO3 — CID 26763381

IUPAC(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)O)C2
InChIInChI=1S/C19H29NO3/c1-12-10-18(23-9-8-20(4)5)14(3)17-11-15(6-7-16(12)17)13(2)19(21)22/h10,13,15H,6-9,11H2,1-5H3,(H,21,22)/t13-,15+/m0/s1
InChIKeyBPZBZVWIRRLFBY-DZGCQCFKSA-N
MW319.45 g/mol
LogP3.07
Rot. Bonds6

About (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid

(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid (PubChem CID 26763381) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
PubChem CID26763381
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)O)C2
InChIInChI=1S/C19H29NO3/c1-12-10-18(23-9-8-20(4)5)14(3)17-11-15(6-7-16(12)17)13(2)19(21)22/h10,13,15H,6-9,11H2,1-5H3,(H,21,22)/t13-,15+/m0/s1
InChIKeyBPZBZVWIRRLFBY-DZGCQCFKSA-N
XLogP3.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 134787155
2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
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
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7135455
2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 3743524
(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-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 7135446
(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide
CID 143553713
2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 3725859
(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
CID 7051561

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid (CID 26763381) is (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid is Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)O)C2.
What is the InChIKey of (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The InChIKey is BPZBZVWIRRLFBY-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H29NO3/c1-12-10-18(23-9-8-20(4)5)14(3)17-11-15(6-7-16(12)17)13(2)19(21)22/h10,13,15H,6-9,11H2,1-5H3,(H,21,22)/t13-,15+/m0/s1.
What are the key properties of (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid has a molecular weight of 319.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid is sourced from PubChem (CID 26763381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).