4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide

C16H21N3O2 — CID 125152934

IUPAC4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
SMILESC[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(CN)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-10-6-14(10)19-9-13(7-15(19)20)18-16(21)12-4-2-11(8-17)3-5-12/h2-5,10,13-14H,6-9,17H2,1H3,(H,18,21)/t10-,13-,14+/m1/s1
InChIKeyRGKOUXMAGQEWIO-HONMWMINSA-N
MW287.36 g/mol
LogP0.88
Rot. Bonds4

About 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide

4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 125152934) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
PubChem CID125152934
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide
SMILESC[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(CN)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-10-6-14(10)19-9-13(7-15(19)20)18-16(21)12-4-2-11(8-17)3-5-12/h2-5,10,13-14H,6-9,17H2,1H3,(H,18,21)/t10-,13-,14+/m1/s1
InChIKeyRGKOUXMAGQEWIO-HONMWMINSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide with MolForge

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Related Compounds

2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 125148297
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521
4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
CID 124693465
3-bromo-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 96568822
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 100862018
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
(2E,4E)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]hexa-2,4-dienamide
CID 129449704

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide (CID 125152934) is 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide is C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(CN)cc2)CC1=O.
What is the InChIKey of 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is RGKOUXMAGQEWIO-HONMWMINSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-6-14(10)19-9-13(7-15(19)20)18-16(21)12-4-2-11(8-17)3-5-12/h2-5,10,13-14H,6-9,17H2,1H3,(H,18,21)/t10-,13-,14+/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide?
4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125152934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).