(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C15H19NO5 — CID 13187696

IUPAC(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc(OC)c2c1CC[C@@](NC(C)=O)(C(=O)O)C2
InChIInChI=1S/C15H19NO5/c1-9(17)16-15(14(18)19)7-6-10-11(8-15)13(21-3)5-4-12(10)20-2/h4-5H,6-8H2,1-3H3,(H,16,17)(H,18,19)/t15-/m0/s1
InChIKeyODABCKMSNZLGFO-HNNXBMFYSA-N
MW293.32 g/mol
LogP1.15
Rot. Bonds4

About (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 13187696) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID13187696
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc(OC)c2c1CC[C@@](NC(C)=O)(C(=O)O)C2
InChIInChI=1S/C15H19NO5/c1-9(17)16-15(14(18)19)7-6-10-11(8-15)13(21-3)5-4-12(10)20-2/h4-5H,6-8H2,1-3H3,(H,16,17)(H,18,19)/t15-/m0/s1
InChIKeyODABCKMSNZLGFO-HNNXBMFYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic 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

1-[(2S)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl]ethanone
CID 96588279
methyl (2R)-2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 11161407
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 13300403
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119418958
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
(3S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]thiolane-3-carboxylic acid
CID 125147917
methyl 1-acetamido-4-oxocyclohexane-1-carboxylate
CID 10584690
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 13187696) is (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COc1ccc(OC)c2c1CC[C@@](NC(C)=O)(C(=O)O)C2.
What is the InChIKey of (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is ODABCKMSNZLGFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(17)16-15(14(18)19)7-6-10-11(8-15)13(21-3)5-4-12(10)20-2/h4-5H,6-8H2,1-3H3,(H,16,17)(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
(2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 13187696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).