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

C11H13NO4 — CID 907743

IUPAC(2S,3S)-2-amino-3-phenylpentanedioic acid
SMILESN[C@H](C(=O)O)[C@@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO4/c12-10(11(15)16)8(6-9(13)14)7-4-2-1-3-5-7/h1-5,8,10H,6,12H2,(H,13,14)(H,15,16)/t8-,10-/m0/s1
InChIKeyUXEDFOHTFRNIJS-WPRPVWTQSA-N
MW223.23 g/mol
LogP0.66
Rot. Bonds5

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

(2S,3S)-2-amino-3-phenylpentanedioic acid (PubChem CID 907743) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-phenylpentanedioic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-phenylpentanedioic acid
PubChem CID907743
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S,3S)-2-amino-3-phenylpentanedioic acid
SMILESN[C@H](C(=O)O)[C@@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO4/c12-10(11(15)16)8(6-9(13)14)7-4-2-1-3-5-7/h1-5,8,10H,6,12H2,(H,13,14)(H,15,16)/t8-,10-/m0/s1
InChIKeyUXEDFOHTFRNIJS-WPRPVWTQSA-N
XLogP0.66
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-phenylpentanoic acid
CID 3249521
2-phenylbutanedioic acid
CID 161009404
(2S)-2-amino-3-thiophen-2-ylpentanedioic acid
CID 139509804
3,4-diphenylhexanoic acid
CID 153127747
2-amino-4-[[(S)-carboxy(phenyl)methyl]amino]-3-phenylbutanoic acid
CID 67916624
europium;tris(2-phenylbutanedioic acid)
CID 156846982
[(2S,3S)-4-carboxy-1-fluoro-3-phenylbutan-2-yl]azanium
CID 91928909
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
4-(methylamino)-3-phenylpentanoic acid;hydrochloride
CID 13300364
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-phenylpentanedioic acid?
The IUPAC name of (2S,3S)-2-amino-3-phenylpentanedioic acid (CID 907743) is (2S,3S)-2-amino-3-phenylpentanedioic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-phenylpentanedioic acid?
The canonical SMILES for (2S,3S)-2-amino-3-phenylpentanedioic acid is N[C@H](C(=O)O)[C@@H](CC(=O)O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-3-phenylpentanedioic acid?
The InChIKey is UXEDFOHTFRNIJS-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H13NO4/c12-10(11(15)16)8(6-9(13)14)7-4-2-1-3-5-7/h1-5,8,10H,6,12H2,(H,13,14)(H,15,16)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-phenylpentanedioic acid?
(2S,3S)-2-amino-3-phenylpentanedioic acid has a molecular weight of 223.23 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-phenylpentanedioic acid is sourced from PubChem (CID 907743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).