(8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C19H26N2O3 — CID 164635319

IUPAC(8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCN(CC(=O)NC[C@H]1CCCc2ccc(C(=O)O)cc21)C1CCC1
InChIInChI=1S/C19H26N2O3/c1-21(16-6-3-7-16)12-18(22)20-11-15-5-2-4-13-8-9-14(19(23)24)10-17(13)15/h8-10,15-16H,2-7,11-12H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyQYBKWLSKQVYBNG-OAHLLOKOSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds6

About (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

(8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 164635319) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID164635319
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCN(CC(=O)NC[C@H]1CCCc2ccc(C(=O)O)cc21)C1CCC1
InChIInChI=1S/C19H26N2O3/c1-21(16-6-3-7-16)12-18(22)20-11-15-5-2-4-13-8-9-14(19(23)24)10-17(13)15/h8-10,15-16H,2-7,11-12H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyQYBKWLSKQVYBNG-OAHLLOKOSA-N
XLogP2.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 164635319) is (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is CN(CC(=O)NC[C@H]1CCCc2ccc(C(=O)O)cc21)C1CCC1.
What is the InChIKey of (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is QYBKWLSKQVYBNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-21(16-6-3-7-16)12-18(22)20-11-15-5-2-4-13-8-9-14(19(23)24)10-17(13)15/h8-10,15-16H,2-7,11-12H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
(8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[[[2-[cyclobutyl(methyl)amino]acetyl]amino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 164635319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).