4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid

C17H24N2O4 — CID 69333324

IUPAC4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)C(Nc1ccc(C(=O)O)cc1)C1CCCN1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)14(13-5-4-10-18-13)19-12-8-6-11(7-9-12)15(20)21/h6-9,13-14,18-19H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyJOJDGJSTNDXBNH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.26
Rot. Bonds5

About 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid

4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid (PubChem CID 69333324) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid
PubChem CID69333324
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)C(Nc1ccc(C(=O)O)cc1)C1CCCN1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)14(13-5-4-10-18-13)19-12-8-6-11(7-9-12)15(20)21/h6-9,13-14,18-19H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyJOJDGJSTNDXBNH-UHFFFAOYSA-N
XLogP2.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid with MolForge

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Related Compounds

4-[[(2R)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]amino]benzoic acid
CID 141045738
tert-butyl 2-cyclohexyl-2-(4-methylanilino)acetate
CID 154630207
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
tert-butyl (2S)-2-(3-bromophenyl)-2-[(2R)-pyrrolidin-2-yl]acetate
CID 178194445
4-(pyrrolidin-2-ylmethylamino)benzoic acid
CID 106636873
tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
tert-butyl 4-[(3-phenylpiperidine-2-carbonyl)amino]benzoate;ethane
CID 144816907
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
tert-butyl (2R,5R,6R)-2-benzyl-6-methoxy-5-methyl-4-oxo-6-[(2S)-pyrrolidin-2-yl]hexanoate
CID 157260915
tert-butyl (2S)-2-[[2-hydroxy-2-[(2S)-pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoate
CID 10757659

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid (CID 69333324) is 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid is CC(C)(C)OC(=O)C(Nc1ccc(C(=O)O)cc1)C1CCCN1.
What is the InChIKey of 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid?
The InChIKey is JOJDGJSTNDXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)14(13-5-4-10-18-13)19-12-8-6-11(7-9-12)15(20)21/h6-9,13-14,18-19H,4-5,10H2,1-3H3,(H,20,21).
What are the key properties of 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid?
4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid is sourced from PubChem (CID 69333324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).