N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide

C18H25N3O2 — CID 119616462

IUPACN-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC(CN)C2CC2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-18(17(23)20-15(12-19)13-8-9-13)10-5-11-21(18)16(22)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,19H2,1H3,(H,20,23)
InChIKeyWPBXYQGCNGUJJF-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.53
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 119616462) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
PubChem CID119616462
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC(CN)C2CC2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-18(17(23)20-15(12-19)13-8-9-13)10-5-11-21(18)16(22)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,19H2,1H3,(H,20,23)
InChIKeyWPBXYQGCNGUJJF-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide
CID 119613947

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide (CID 119616462) is N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NC(CN)C2CC2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is WPBXYQGCNGUJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(17(23)20-15(12-19)13-8-9-13)10-5-11-21(18)16(22)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,19H2,1H3,(H,20,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119616462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).