N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide

C13H19N3O2 — CID 91359407

IUPACN-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CN(c2ccc(N)cc2)CC1O
InChIInChI=1S/C13H19N3O2/c1-2-13(18)15-11-7-16(8-12(11)17)10-5-3-9(14)4-6-10/h3-6,11-12,17H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyFOLOAPOWVPMOCF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.34
Rot. Bonds3

About N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide

N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide (PubChem CID 91359407) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide
PubChem CID91359407
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CN(c2ccc(N)cc2)CC1O
InChIInChI=1S/C13H19N3O2/c1-2-13(18)15-11-7-16(8-12(11)17)10-5-3-9(14)4-6-10/h3-6,11-12,17H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyFOLOAPOWVPMOCF-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-4-(2-hydroxyethylamino)pyrrolidin-3-ol
CID 12011676
1-(4-aminophenyl)azepane-3,4,5,6-tetrol
CID 23103824
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
CID 91321572
methyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 43461605
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
4-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]aniline
CID 129414434
1-(4-aminophenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 82044943
3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
CID 19086860
N-[(6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]propanamide
CID 138727871

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide?
The IUPAC name of N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide (CID 91359407) is N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide is CCC(=O)NC1CN(c2ccc(N)cc2)CC1O.
What is the InChIKey of N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide?
The InChIKey is FOLOAPOWVPMOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-13(18)15-11-7-16(8-12(11)17)10-5-3-9(14)4-6-10/h3-6,11-12,17H,2,7-8,14H2,1H3,(H,15,18).
What are the key properties of N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide?
N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-4-hydroxypyrrolidin-3-yl]propanamide is sourced from PubChem (CID 91359407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).