N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide

C12H15N3O2 — CID 64882512

IUPACN-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H15N3O2/c13-7-8-3-1-2-4-9(8)15-12(17)10-5-6-11(16)14-10/h1-4,10H,5-7,13H2,(H,14,16)(H,15,17)
InChIKeyILEWSDKHCVKZTN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.36
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 64882512) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID64882512
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H15N3O2/c13-7-8-3-1-2-4-9(8)15-12(17)10-5-6-11(16)14-10/h1-4,10H,5-7,13H2,(H,14,16)(H,15,17)
InChIKeyILEWSDKHCVKZTN-UHFFFAOYSA-N
XLogP0.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 166390943
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide (CID 64882512) is N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide is NCc1ccccc1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ILEWSDKHCVKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-7-8-3-1-2-4-9(8)15-12(17)10-5-6-11(16)14-10/h1-4,10H,5-7,13H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 64882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).