(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid

C17H25NO3 — CID 122044708

IUPAC(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid
SMILESCCCC[C@H](NC1CCc2c(cccc2OC)C1)C(=O)O
InChIInChI=1S/C17H25NO3/c1-3-4-7-15(17(19)20)18-13-9-10-14-12(11-13)6-5-8-16(14)21-2/h5-6,8,13,15,18H,3-4,7,9-11H2,1-2H3,(H,19,20)/t13?,15-/m0/s1
InChIKeyGLVLRUYYGRWYMG-WUJWULDRSA-N
MW291.39 g/mol
LogP2.79
Rot. Bonds7

About (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid

(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid (PubChem CID 122044708) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid
PubChem CID122044708
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid
SMILESCCCC[C@H](NC1CCc2c(cccc2OC)C1)C(=O)O
InChIInChI=1S/C17H25NO3/c1-3-4-7-15(17(19)20)18-13-9-10-14-12(11-13)6-5-8-16(14)21-2/h5-6,8,13,15,18H,3-4,7,9-11H2,1-2H3,(H,19,20)/t13?,15-/m0/s1
InChIKeyGLVLRUYYGRWYMG-WUJWULDRSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid with MolForge

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Related Compounds

(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid (CID 122044708) is (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid is CCCC[C@H](NC1CCc2c(cccc2OC)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid?
The InChIKey is GLVLRUYYGRWYMG-WUJWULDRSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-4-7-15(17(19)20)18-13-9-10-14-12(11-13)6-5-8-16(14)21-2/h5-6,8,13,15,18H,3-4,7,9-11H2,1-2H3,(H,19,20)/t13?,15-/m0/s1.
What are the key properties of (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid?
(2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]hexanoic acid is sourced from PubChem (CID 122044708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).