2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid

C13H16N2O4 — CID 55132152

IUPAC2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)N1CCC(O)C1)c1ccccc1
InChIInChI=1S/C13H16N2O4/c16-11-6-7-14(8-11)13(19)15(9-12(17)18)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)
InChIKeyVUKIIMKDBWRUFA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.76
Rot. Bonds3

About 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid

2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid (PubChem CID 55132152) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
PubChem CID55132152
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)N1CCC(O)C1)c1ccccc1
InChIInChI=1S/C13H16N2O4/c16-11-6-7-14(8-11)13(19)15(9-12(17)18)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)
InChIKeyVUKIIMKDBWRUFA-UHFFFAOYSA-N
XLogP0.76
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941
2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid
CID 103536092
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid (CID 55132152) is 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid is O=C(O)CN(C(=O)N1CCC(O)C1)c1ccccc1.
What is the InChIKey of 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid?
The InChIKey is VUKIIMKDBWRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-6-7-14(8-11)13(19)15(9-12(17)18)10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18).
What are the key properties of 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid?
2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid is sourced from PubChem (CID 55132152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).