(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane

C11H16N2O5 — CID 91900718

IUPAC(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane
SMILESN.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO5.H3N/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7;/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16);1H3/t8-,9-;/m0./s1
InChIKeyNWSNCKZFVJQJRK-OZZZDHQUSA-N
MW256.26 g/mol
LogP0.23
Rot. Bonds6

About (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane

(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane (PubChem CID 91900718) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane
PubChem CID91900718
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane
SMILESN.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO5.H3N/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7;/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16);1H3/t8-,9-;/m0./s1
InChIKeyNWSNCKZFVJQJRK-OZZZDHQUSA-N
XLogP0.23
TPSA144.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane?
The IUPAC name of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane (CID 91900718) is (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane.
What is the SMILES notation for (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane?
The canonical SMILES for (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane is N.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane?
The InChIKey is NWSNCKZFVJQJRK-OZZZDHQUSA-N. The full InChI is InChI=1S/C11H13NO5.H3N/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7;/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16);1H3/t8-,9-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane?
(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane has a molecular weight of 256.26 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid;azane is sourced from PubChem (CID 91900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).