(2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid

C10H11NO5 — CID 21026338

IUPAC(2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O
InChIInChI=1S/C10H11NO5/c12-8(9(13)14)7(11-10(15)16)6-4-2-1-3-5-6/h1-5,7-8,11-12H,(H,13,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyJNSWIYCWZPFQQF-JGVFFNPUSA-N
MW225.20 g/mol
LogP0.44
Rot. Bonds4

About (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid

(2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid (PubChem CID 21026338) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid
PubChem CID21026338
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O
InChIInChI=1S/C10H11NO5/c12-8(9(13)14)7(11-10(15)16)6-4-2-1-3-5-6/h1-5,7-8,11-12H,(H,13,14)(H,15,16)/t7-,8+/m0/s1
InChIKeyJNSWIYCWZPFQQF-JGVFFNPUSA-N
XLogP0.44
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid (CID 21026338) is (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid is O=C(O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is JNSWIYCWZPFQQF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H11NO5/c12-8(9(13)14)7(11-10(15)16)6-4-2-1-3-5-6/h1-5,7-8,11-12H,(H,13,14)(H,15,16)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid?
(2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(carboxyamino)-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 21026338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).