N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride

C15H20ClN3O2 — CID 166176501

IUPACN-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C15H19N3O2.ClH/c16-12-6-9-18(10-12)14(20)15(7-8-15)17-13(19)11-4-2-1-3-5-11;/h1-5,12H,6-10,16H2,(H,17,19);1H
InChIKeyLICMAYKUPVCAQH-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.93
Rot. Bonds3

About N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride

N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride (PubChem CID 166176501) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
PubChem CID166176501
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
SMILESCl.NC1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C15H19N3O2.ClH/c16-12-6-9-18(10-12)14(20)15(7-8-15)17-13(19)11-4-2-1-3-5-11;/h1-5,12H,6-10,16H2,(H,17,19);1H
InChIKeyLICMAYKUPVCAQH-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
CID 166176498
N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
CID 166176503
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
CID 166176518
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
[(3R)-3-aminopyrrolidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119411352
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride?
The IUPAC name of N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride (CID 166176501) is N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride?
The canonical SMILES for N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride is Cl.NC1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride?
The InChIKey is LICMAYKUPVCAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c16-12-6-9-18(10-12)14(20)15(7-8-15)17-13(19)11-4-2-1-3-5-11;/h1-5,12H,6-10,16H2,(H,17,19);1H.
What are the key properties of N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride?
N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride is sourced from PubChem (CID 166176501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).