3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid

C15H21NO2 — CID 103232448

IUPAC3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
SMILESCC(C)C(Nc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(2)14(15(17)18)16-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9-10,14,16H,3-4,6,8H2,1-2H3,(H,17,18)
InChIKeyIREWOYUSBXLPQQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.09
Rot. Bonds4

About 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid (PubChem CID 103232448) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
PubChem CID103232448
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
SMILESCC(C)C(Nc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(2)14(15(17)18)16-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9-10,14,16H,3-4,6,8H2,1-2H3,(H,17,18)
InChIKeyIREWOYUSBXLPQQ-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid
CID 103232434
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
CID 51248619
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
CID 43192226
2-(2-iodoanilino)-3-methylbutanoic acid
CID 103236993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid (CID 103232448) is 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid is CC(C)C(Nc1cccc2c1CCCC2)C(=O)O.
What is the InChIKey of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid?
The InChIKey is IREWOYUSBXLPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)14(15(17)18)16-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9-10,14,16H,3-4,6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid?
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid is sourced from PubChem (CID 103232448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).