N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H29N3O2 — CID 119571084

IUPACN-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CC(=O)N(c2cccc(C)c2C)C1
InChIInChI=1S/C19H29N3O2/c1-5-19(6-2,12-20)21-18(24)15-10-17(23)22(11-15)16-9-7-8-13(3)14(16)4/h7-9,15H,5-6,10-12,20H2,1-4H3,(H,21,24)
InChIKeyRLZGRIFEGBJDLS-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.29
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119571084) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119571084
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1CC(=O)N(c2cccc(C)c2C)C1
InChIInChI=1S/C19H29N3O2/c1-5-19(6-2,12-20)21-18(24)15-10-17(23)22(11-15)16-9-7-8-13(3)14(16)4/h7-9,15H,5-6,10-12,20H2,1-4H3,(H,21,24)
InChIKeyRLZGRIFEGBJDLS-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119570475
methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95127376
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119567430
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 124833954
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119571084) is N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCC(CC)(CN)NC(=O)C1CC(=O)N(c2cccc(C)c2C)C1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLZGRIFEGBJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-19(6-2,12-20)21-18(24)15-10-17(23)22(11-15)16-9-7-8-13(3)14(16)4/h7-9,15H,5-6,10-12,20H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119571084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).