2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine

C16H19NO6 — CID 158376535

IUPAC2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
SMILESC[C@@H](N)c1cccc2ccccc12.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C12H13N.C4H6O6/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;5-1(3(7)8)2(6)4(9)10/h2-9H,13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;/m1./s1
InChIKeyGVGRBXONPMYDEB-SBSPUUFOSA-N
MW321.33 g/mol
LogP0.74
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine

2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine (PubChem CID 158376535) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
PubChem CID158376535
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
SMILESC[C@@H](N)c1cccc2ccccc12.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C12H13N.C4H6O6/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;5-1(3(7)8)2(6)4(9)10/h2-9H,13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;/m1./s1
InChIKeyGVGRBXONPMYDEB-SBSPUUFOSA-N
XLogP0.74
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
3-naphthalen-1-ylbutanoic acid
CID 43211329
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
CID 22806370
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-amino-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 23548500
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
CID 69049532

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine (CID 158376535) is 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine is C[C@@H](N)c1cccc2ccccc12.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine?
The InChIKey is GVGRBXONPMYDEB-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H13N.C4H6O6/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;5-1(3(7)8)2(6)4(9)10/h2-9H,13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;/m1./s1.
What are the key properties of 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine?
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine has a molecular weight of 321.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 158376535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).