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

C16H22ClN3O2 — CID 119755966

IUPAC1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CC1)c1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11(18-15(21)16(17)7-8-16)12-4-2-5-13(10-12)19-9-3-6-14(19)20;/h2,4-5,10-11H,3,6-9,17H2,1H3,(H,18,21);1H
InChIKeyHFPPDROLYYILLV-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.90
Rot. Bonds4

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

1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119755966) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119755966
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CC1)c1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11(18-15(21)16(17)7-8-16)12-4-2-5-13(10-12)19-9-3-6-14(19)20;/h2,4-5,10-11H,3,6-9,17H2,1H3,(H,18,21);1H
InChIKeyHFPPDROLYYILLV-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962
(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 95242893
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 128792373
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119755966) is 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride is CC(NC(=O)C1(N)CC1)c1cccc(N2CCCC2=O)c1.Cl.
What is the InChIKey of 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HFPPDROLYYILLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-11(18-15(21)16(17)7-8-16)12-4-2-5-13(10-12)19-9-3-6-14(19)20;/h2,4-5,10-11H,3,6-9,17H2,1H3,(H,18,21);1H.
What are the key properties of 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).