2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid

C14H20N2O2 — CID 62232558

IUPAC2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
SMILESCC(CN1CCCC1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-11(10-16-8-4-5-9-16)15-13-7-3-2-6-12(13)14(17)18/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyLLCIZIILUXURFX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds5

About 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid

2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid (PubChem CID 62232558) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
PubChem CID62232558
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
SMILESCC(CN1CCCC1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-11(10-16-8-4-5-9-16)15-13-7-3-2-6-12(13)14(17)18/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyLLCIZIILUXURFX-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)benzoic acid
CID 19609454
2-ethylsulfonyl-N-(1-pyrrolidin-1-ylpropan-2-yl)aniline
CID 61474408
2-bromo-6-(1-piperidin-1-ylpropan-2-ylamino)benzoic acid
CID 114888005
2-(3-hydroxybutan-2-ylamino)benzoic acid
CID 131071288
3-fluoro-4-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62711373
3-chloro-4-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 63087140
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 62174346
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
2-(pentan-3-ylamino)benzoic acid
CID 43139564
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79250086
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid?
The IUPAC name of 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid (CID 62232558) is 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid?
The canonical SMILES for 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid is CC(CN1CCCC1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid?
The InChIKey is LLCIZIILUXURFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(10-16-8-4-5-9-16)15-13-7-3-2-6-12(13)14(17)18/h2-3,6-7,11,15H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid?
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid is sourced from PubChem (CID 62232558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).