3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid

C15H19NO3 — CID 43240739

IUPAC3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-10(8-14(17)18)16-15(19)13-7-6-11-4-2-3-5-12(11)9-13/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLKWYROZOHFWJCK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.16
Rot. Bonds4

About 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid

3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid (PubChem CID 43240739) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
PubChem CID43240739
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-10(8-14(17)18)16-15(19)13-7-6-11-4-2-3-5-12(11)9-13/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLKWYROZOHFWJCK-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
(2S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43467734
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid (CID 43240739) is 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
The InChIKey is LKWYROZOHFWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(8-14(17)18)16-15(19)13-7-6-11-4-2-3-5-12(11)9-13/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid?
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 43240739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).