N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide

C13H19N3O2 — CID 62942601

IUPACN-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1N)N1CCC(O)C1
InChIInChI=1S/C13H19N3O2/c1-9(16-7-6-10(17)8-16)13(18)15-12-5-3-2-4-11(12)14/h2-5,9-10,17H,6-8,14H2,1H3,(H,15,18)
InChIKeyBMXLESLIVVPSCK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.66
Rot. Bonds3

About N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide

N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide (PubChem CID 62942601) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
PubChem CID62942601
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1N)N1CCC(O)C1
InChIInChI=1S/C13H19N3O2/c1-9(16-7-6-10(17)8-16)13(18)15-12-5-3-2-4-11(12)14/h2-5,9-10,17H,6-8,14H2,1H3,(H,15,18)
InChIKeyBMXLESLIVVPSCK-UHFFFAOYSA-N
XLogP0.66
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956099
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
N-(4-amino-2-methylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 43575281
N-(3-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797183
N-[2-(difluoromethoxy)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51243860
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide (CID 62942601) is N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide is CC(C(=O)Nc1ccccc1N)N1CCC(O)C1.
What is the InChIKey of N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The InChIKey is BMXLESLIVVPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16-7-6-10(17)8-16)13(18)15-12-5-3-2-4-11(12)14/h2-5,9-10,17H,6-8,14H2,1H3,(H,15,18).
What are the key properties of N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62942601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).