2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid

C14H17NO5 — CID 10779036

IUPAC2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid
SMILESO=C(O)C(O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c16-12(13(17)18)11-7-4-8-15(11)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2,(H,17,18)
InChIKeySREYESPYOGBHQH-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.23
Rot. Bonds4

About 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid

2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid (PubChem CID 10779036) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid
PubChem CID10779036
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid
SMILESO=C(O)C(O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO5/c16-12(13(17)18)11-7-4-8-15(11)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2,(H,17,18)
InChIKeySREYESPYOGBHQH-UHFFFAOYSA-N
XLogP1.23
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid (CID 10779036) is 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid is O=C(O)C(O)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid?
The InChIKey is SREYESPYOGBHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-12(13(17)18)11-7-4-8-15(11)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,16H,4,7-9H2,(H,17,18).
What are the key properties of 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid?
2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 10779036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).