(2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid

C15H15NO5 — CID 12047099

IUPAC(2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid
SMILESN[C@H](C(=O)O)[C@H](OCc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H15NO5/c16-12(14(17)18)13(15(19)20)21-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12-13H,8,16H2,(H,17,18)(H,19,20)/t12-,13-/m0/s1
InChIKeyIDLZMLNYGAEJTA-STQMWFEESA-N
MW289.29 g/mol
LogP1.22
Rot. Bonds6

About (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid

(2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid (PubChem CID 12047099) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid
PubChem CID12047099
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid
SMILESN[C@H](C(=O)O)[C@H](OCc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H15NO5/c16-12(14(17)18)13(15(19)20)21-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12-13H,8,16H2,(H,17,18)(H,19,20)/t12-,13-/m0/s1
InChIKeyIDLZMLNYGAEJTA-STQMWFEESA-N
XLogP1.22
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

DL-Tboa
CID 5311218
2-Amino-3-phenylmethoxybutanedioic acid
CID 4133412
(2S, 3S)-3-Amino-2-(naphthalen-2-ylmethoxy)-pentanedioic acid
CID 12047100
(2S,3S)-2-azaniumyl-3-phenylmethoxybutanedioate
CID 24916888
Tboa-(DL)
CID 90479771
DL-TBOA ammonium
CID 91900718
(2s,3s)-2-Amino-4-(benzyloxy)-3-hydroxy-4-oxobutanoic acid
CID 129843865
dibenzyl (2S,3S)-2-amino-3-phenylmethoxybutanedioate
CID 134918256
2-Amino-3-phenylmethoxybutanedioate
CID 135070117
(2S,3S)-2-amino-3-[(2-fluorophenyl)methoxy]butanedioic acid
CID 122232397
(2S,3S)-2-amino-3-[[3-(trifluoromethyl)phenyl]methoxy]butanedioate
CID 122232398
(2S,3S)-2-amino-3-[[3-(trifluoromethyl)phenyl]methoxy]butanedioic acid
CID 122232399

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid?
The IUPAC name of (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid (CID 12047099) is (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid?
The canonical SMILES for (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid is N[C@H](C(=O)O)[C@H](OCc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid?
The InChIKey is IDLZMLNYGAEJTA-STQMWFEESA-N. The full InChI is InChI=1S/C15H15NO5/c16-12(14(17)18)13(15(19)20)21-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12-13H,8,16H2,(H,17,18)(H,19,20)/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid?
(2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid has a molecular weight of 289.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(naphthalen-1-ylmethoxy)butanedioic acid is sourced from PubChem (CID 12047099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).