2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid

C12H15NO3 — CID 19855453

IUPAC2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
SMILESNC(Oc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C12H15NO3/c13-11(12(14)15)16-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6,13H2,(H,14,15)
InChIKeyXHDOCNXGQVLCJS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid

2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid (PubChem CID 19855453) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
PubChem CID19855453
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
SMILESNC(Oc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C12H15NO3/c13-11(12(14)15)16-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6,13H2,(H,14,15)
InChIKeyXHDOCNXGQVLCJS-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanethioamide
CID 82083468
(2R)-2-amino-2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 130783768
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
4-(1H-imidazol-5-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)but-3-enoic acid
CID 67577161
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184782
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100709443
1-[3-(2,3-dihydro-1H-inden-4-yloxy)butan-2-yl]-3-methylurea
CID 59734425
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
CID 82086855

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid?
The IUPAC name of 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid (CID 19855453) is 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid.
What is the SMILES notation for 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid?
The canonical SMILES for 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid is NC(Oc1cccc2c1CCCC2)C(=O)O.
What is the InChIKey of 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid?
The InChIKey is XHDOCNXGQVLCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-11(12(14)15)16-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6,13H2,(H,14,15).
What are the key properties of 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid?
2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid is sourced from PubChem (CID 19855453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).