3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid

C17H25NO2 — CID 19077125

IUPAC3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(CCC(=O)O)c(N)cc21
InChIInChI=1S/C17H25NO2/c1-16(2)7-8-17(3,4)13-10-14(18)11(9-12(13)16)5-6-15(19)20/h9-10H,5-8,18H2,1-4H3,(H,19,20)
InChIKeyHDKIBBZYXULNIA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.63
Rot. Bonds3

About 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid

3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid (PubChem CID 19077125) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
PubChem CID19077125
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(CCC(=O)O)c(N)cc21
InChIInChI=1S/C17H25NO2/c1-16(2)7-8-17(3,4)13-10-14(18)11(9-12(13)16)5-6-15(19)20/h9-10H,5-8,18H2,1-4H3,(H,19,20)
InChIKeyHDKIBBZYXULNIA-UHFFFAOYSA-N
XLogP3.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 10017002
4-amino-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid
CID 116525863
4-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid;zinc
CID 67884276
3-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]phenyl]propanoic acid
CID 121472067
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 116525810
3-chloro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 18983551
3-(2-amino-4-phenylphenyl)propanoic acid
CID 67367473
4-[2-(5,5,8,8-tetramethyl-3-propyl-6,7-dihydronaphthalen-2-yl)ethyl]benzoic acid
CID 70007361
(Z)-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octadec-9-enoic acid
CID 176888341
(E)-1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidenehydrazine
CID 56923567

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid (CID 19077125) is 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid is CC1(C)CCC(C)(C)c2cc(CCC(=O)O)c(N)cc21.
What is the InChIKey of 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
The InChIKey is HDKIBBZYXULNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)7-8-17(3,4)13-10-14(18)11(9-12(13)16)5-6-15(19)20/h9-10H,5-8,18H2,1-4H3,(H,19,20).
What are the key properties of 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid?
3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 19077125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).