N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide

C11H15N3O2 — CID 91075278

IUPACN-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCCC2)c(O)c1
InChIInChI=1S/C11H15N3O2/c12-8-3-4-9(10(15)7-8)13-11(16)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,12H2,(H,13,16)
InChIKeyKOAFBIAHJRPNOU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds1

About N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide

N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 91075278) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
PubChem CID91075278
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCCC2)c(O)c1
InChIInChI=1S/C11H15N3O2/c12-8-3-4-9(10(15)7-8)13-11(16)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,12H2,(H,13,16)
InChIKeyKOAFBIAHJRPNOU-UHFFFAOYSA-N
XLogP1.60
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
CID 112557540
N-[(5-amino-2-hydroxyphenyl)methyl]azepane-1-carboxamide
CID 79152962
N-[2,4-bis(sulfanyl)phenyl]pyrrolidine-1-carboxamide
CID 176908918
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61435039
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide (CID 91075278) is N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide is Nc1ccc(NC(=O)N2CCCC2)c(O)c1.
What is the InChIKey of N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KOAFBIAHJRPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-3-4-9(10(15)7-8)13-11(16)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,12H2,(H,13,16).
What are the key properties of N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide?
N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91075278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).