2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid

C17H21NO4 — CID 122067499

IUPAC2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc2c(c1O)CCCC2)C1CC1
InChIInChI=1S/C17H21NO4/c1-10(17(21)22)18(12-7-8-12)16(20)14-9-6-11-4-2-3-5-13(11)15(14)19/h6,9-10,12,19H,2-5,7-8H2,1H3,(H,21,22)
InChIKeyGGWSUEOPDXQTBR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.35
Rot. Bonds4

About 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid

2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid (PubChem CID 122067499) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid
PubChem CID122067499
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc2c(c1O)CCCC2)C1CC1
InChIInChI=1S/C17H21NO4/c1-10(17(21)22)18(12-7-8-12)16(20)14-9-6-11-4-2-3-5-13(11)15(14)19/h6,9-10,12,19H,2-5,7-8H2,1H3,(H,21,22)
InChIKeyGGWSUEOPDXQTBR-UHFFFAOYSA-N
XLogP2.35
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119203319
cyclohexyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 11265396
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120519188
2-[(4-bromo-2-fluorobenzoyl)-cyclopropylamino]propanoic acid
CID 119203138
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 117340695
2-[cyclopropyl-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 119203461
2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 119203567
2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
CID 119202227
2-[(2-bromo-4-nitrobenzoyl)-cyclopropylamino]propanoic acid
CID 122067176
2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119202787

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid (CID 122067499) is 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1ccc2c(c1O)CCCC2)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid?
The InChIKey is GGWSUEOPDXQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10(17(21)22)18(12-7-8-12)16(20)14-9-6-11-4-2-3-5-13(11)15(14)19/h6,9-10,12,19H,2-5,7-8H2,1H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122067499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).