2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid

C14H18N2O4 — CID 62942680

IUPAC2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)N1CCC(O)C1)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(12(18)19,10-5-3-2-4-6-10)15-13(20)16-8-7-11(17)9-16/h2-6,11,17H,7-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyYVWYTVLECNBXQL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds3

About 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid

2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62942680) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62942680
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)N1CCC(O)C1)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(12(18)19,10-5-3-2-4-6-10)15-13(20)16-8-7-11(17)9-16/h2-6,11,17H,7-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyYVWYTVLECNBXQL-UHFFFAOYSA-N
XLogP0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid (CID 62942680) is 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid is CC(NC(=O)N1CCC(O)C1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is YVWYTVLECNBXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(12(18)19,10-5-3-2-4-6-10)15-13(20)16-8-7-11(17)9-16/h2-6,11,17H,7-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62942680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).