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

C13H19N3O2 — CID 62916842

IUPACN-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CCC(O)C1
InChIInChI=1S/C13H19N3O2/c1-9(16-6-5-12(17)8-16)13(18)15-11-4-2-3-10(14)7-11/h2-4,7,9,12,17H,5-6,8,14H2,1H3,(H,15,18)
InChIKeyWQIDKDKQGJPDIO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.66
Rot. Bonds3

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

N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide (PubChem CID 62916842) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
PubChem CID62916842
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CCC(O)C1
InChIInChI=1S/C13H19N3O2/c1-9(16-6-5-12(17)8-16)13(18)15-11-4-2-3-10(14)7-11/h2-4,7,9,12,17H,5-6,8,14H2,1H3,(H,15,18)
InChIKeyWQIDKDKQGJPDIO-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

N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide (CID 62916842) is N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide is CC(C(=O)Nc1cccc(N)c1)N1CCC(O)C1.
What is the InChIKey of N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
The InChIKey is WQIDKDKQGJPDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16-6-5-12(17)8-16)13(18)15-11-4-2-3-10(14)7-11/h2-4,7,9,12,17H,5-6,8,14H2,1H3,(H,15,18).
What are the key properties of N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide?
N-(3-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-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62916842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).