(2R)-2-amino-5-phenylpent-4-ynoic acid

C11H11NO2 — CID 15817185

IUPAC(2R)-2-amino-5-phenylpent-4-ynoic acid
SMILESN[C@H](CC#Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8,12H2,(H,13,14)/t10-/m1/s1
InChIKeyGEUPDAYPUQNECH-SNVBAGLBSA-N
MW189.21 g/mol
LogP0.84
Rot. Bonds2

About (2R)-2-amino-5-phenylpent-4-ynoic acid

(2R)-2-amino-5-phenylpent-4-ynoic acid (PubChem CID 15817185) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-2-amino-5-phenylpent-4-ynoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-phenylpent-4-ynoic acid
PubChem CID15817185
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(2R)-2-amino-5-phenylpent-4-ynoic acid
SMILESN[C@H](CC#Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8,12H2,(H,13,14)/t10-/m1/s1
InChIKeyGEUPDAYPUQNECH-SNVBAGLBSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-phenylpent-4-ynoic acid?
The IUPAC name of (2R)-2-amino-5-phenylpent-4-ynoic acid (CID 15817185) is (2R)-2-amino-5-phenylpent-4-ynoic acid.
What is the SMILES notation for (2R)-2-amino-5-phenylpent-4-ynoic acid?
The canonical SMILES for (2R)-2-amino-5-phenylpent-4-ynoic acid is N[C@H](CC#Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-phenylpent-4-ynoic acid?
The InChIKey is GEUPDAYPUQNECH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8,12H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-5-phenylpent-4-ynoic acid?
(2R)-2-amino-5-phenylpent-4-ynoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-phenylpent-4-ynoic acid is sourced from PubChem (CID 15817185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).