(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid

C14H18N2O3 — CID 6351946

IUPAC(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
InChIKeyIWIANZLCJVYEFX-RYUDHWBXSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds5

About (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid

(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 6351946) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID6351946
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
InChIKeyIWIANZLCJVYEFX-RYUDHWBXSA-N
XLogP0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid (CID 6351946) is (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid is O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is IWIANZLCJVYEFX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid?
(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 6351946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).