(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide

C11H15N3O — CID 28822622

IUPAC(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ccc(N)cc1
InChIInChI=1S/C11H15N3O/c12-8-3-5-9(6-4-8)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7,12H2,(H2,13,15)/t10-/m0/s1
InChIKeyYXZSDUZJKIZRIX-JTQLQIEISA-N
MW205.26 g/mol
LogP0.72
Rot. Bonds2

About (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide

(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide (PubChem CID 28822622) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
PubChem CID28822622
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ccc(N)cc1
InChIInChI=1S/C11H15N3O/c12-8-3-5-9(6-4-8)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7,12H2,(H2,13,15)/t10-/m0/s1
InChIKeyYXZSDUZJKIZRIX-JTQLQIEISA-N
XLogP0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-(6-amino-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43212069
1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
CID 142766812
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 86258443
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281472
4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide
CID 89157748
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide (CID 28822622) is (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1c1ccc(N)cc1.
What is the InChIKey of (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide?
The InChIKey is YXZSDUZJKIZRIX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-3-5-9(6-4-8)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7,12H2,(H2,13,15)/t10-/m0/s1.
What are the key properties of (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide?
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 28822622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).