1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119692813

IUPAC1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C14H17N3O2.ClH/c15-14(6-7-14)13(19)16-10-3-1-4-11(9-10)17-8-2-5-12(17)18;/h1,3-4,9H,2,5-8,15H2,(H,16,19);1H
InChIKeyYIXIORRXGKEMKG-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.66
Rot. Bonds3

About 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119692813) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119692813
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C14H17N3O2.ClH/c15-14(6-7-14)13(19)16-10-3-1-4-11(9-10)17-8-2-5-12(17)18;/h1,3-4,9H,2,5-8,15H2,(H,16,19);1H
InChIKeyYIXIORRXGKEMKG-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119809530
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1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
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1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
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2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
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N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119692813) is 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1.
What is the InChIKey of 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is YIXIORRXGKEMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c15-14(6-7-14)13(19)16-10-3-1-4-11(9-10)17-8-2-5-12(17)18;/h1,3-4,9H,2,5-8,15H2,(H,16,19);1H.
What are the key properties of 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119692813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).