2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid

C14H18N2O4 — CID 66166344

IUPAC2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)C(O)CNC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c17-12(13(18)19)8-15-14(20)16-7-6-11(9-16)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,20)(H,18,19)
InChIKeyIGNAUKHDKWELFV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.63
Rot. Bonds4

About 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid

2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 66166344) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID66166344
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)C(O)CNC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2O4/c17-12(13(18)19)8-15-14(20)16-7-6-11(9-16)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,20)(H,18,19)
InChIKeyIGNAUKHDKWELFV-UHFFFAOYSA-N
XLogP0.63
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 66166344) is 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid is O=C(O)C(O)CNC(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is IGNAUKHDKWELFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(13(18)19)8-15-14(20)16-7-6-11(9-16)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2,(H,15,20)(H,18,19).
What are the key properties of 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66166344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).