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

C11H13NO5 — CID 5311218

IUPAC(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid
SMILESN[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO5/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)/t8-,9-/m0/s1
InChIKeyBYOBCYXURWDEDS-IUCAKERBSA-N
MW239.23 g/mol
LogP0.07
Rot. Bonds6

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

(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid (PubChem CID 5311218) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid
PubChem CID5311218
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid
SMILESN[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO5/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)/t8-,9-/m0/s1
InChIKeyBYOBCYXURWDEDS-IUCAKERBSA-N
XLogP0.07
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

O-benzyl-L-serine
CID 78457
4-(Phenylmethyl) hydrogen L-aspartate
CID 101186
2-Amino-3-phenylmethoxybutanedioic acid
CID 4133412
(2S,3R)-2-amino-3-(benzyloxy)butanoic acid
CID 6951054
O-Benzyl-D-serine
CID 112114
(3R)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
CID 6995008
O-(Phenylmethyl)serine
CID 4573
(2S, 3S)-3-Amino-2-(naphthalen-1-ylmethoxy)-pentanedioic acid
CID 12047099
(2S, 3S)-3-Amino-2-(naphthalen-2-ylmethoxy)-pentanedioic acid
CID 12047100
2-Phenyl-4,5-dihydro-oxazole-4,5-dicarboxylic acid
CID 10354033
Benzyl L-serinate--hydrogen chloride (1/1)
CID 12930233
O-Benzyl-D-threonine
CID 22869571

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid?
The IUPAC name of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid (CID 5311218) is (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid?
The canonical SMILES for (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid is N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid?
The InChIKey is BYOBCYXURWDEDS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H13NO5/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)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-phenylmethoxybutanedioic acid?
(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid has a molecular weight of 239.23 g/mol, XLogP of 0.07, 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-phenylmethoxybutanedioic acid is sourced from PubChem (CID 5311218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).