2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid

C15H19NO3 — CID 115185813

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
SMILESCCC(C(=O)O)C(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-2-13(15(18)19)14(17)16-12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyDOIGNDDEERYQCY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.61
Rot. Bonds4

About 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid

2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid (PubChem CID 115185813) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
PubChem CID115185813
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
SMILESCCC(C(=O)O)C(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19NO3/c1-2-13(15(18)19)14(17)16-12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyDOIGNDDEERYQCY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic 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

N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81085583
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(2,3-dihydro-1H-inden-5-yl)-3-methyl-2-(2-phenylbutanoylamino)pentanamide
CID 42704160
(2S)-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylacetamide
CID 40569777
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid (CID 115185813) is 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid is CCC(C(=O)O)C(=O)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid?
The InChIKey is DOIGNDDEERYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-13(15(18)19)14(17)16-12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid?
2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid is sourced from PubChem (CID 115185813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).