3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid

C15H20N2O3 — CID 63742450

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC1CCN(C2CC2)C1
InChIInChI=1S/C15H20N2O3/c1-20-14-5-2-10(15(18)19)8-13(14)16-11-6-7-17(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9H2,1H3,(H,18,19)
InChIKeyDDGXGMCWONSAEO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds5

About 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid

3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid (PubChem CID 63742450) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid
PubChem CID63742450
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC1CCN(C2CC2)C1
InChIInChI=1S/C15H20N2O3/c1-20-14-5-2-10(15(18)19)8-13(14)16-11-6-7-17(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9H2,1H3,(H,18,19)
InChIKeyDDGXGMCWONSAEO-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
4-amino-3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 82785091
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
3-[(3,4-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64746815
2-N-(1-cyclopropylpyrrolidin-3-yl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001604
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 63743628
3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64760719
4-chloro-2-[(1-cyclopropylpyrrolidin-3-yl)amino]benzoic acid
CID 63081661
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
CID 63676263
methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 62980774
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
CID 43789041
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid (CID 63742450) is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC1CCN(C2CC2)C1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid?
The InChIKey is DDGXGMCWONSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-14-5-2-10(15(18)19)8-13(14)16-11-6-7-17(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid?
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 63742450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).