1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride

C15H20Cl3N3O3 — CID 120990196

IUPAC1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C15H19Cl2N3O3.ClH/c1-23-8-12(18)15(22)20-4-2-3-13(20)14(21)19-11-6-9(16)5-10(17)7-11;/h5-7,12-13H,2-4,8,18H2,1H3,(H,19,21);1H
InChIKeyRWUUKBOLFGFWIA-UHFFFAOYSA-N
MW396.70 g/mol
LogP2.32
Rot. Bonds5

About 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride

1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120990196) has the molecular formula C15H20Cl3N3O3 and a molecular weight of 396.70 g/mol. Its IUPAC name is 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120990196
Molecular FormulaC15H20Cl3N3O3
Molecular Weight396.70 g/mol
Exact Mass395.06
IUPAC Name1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C15H19Cl2N3O3.ClH/c1-23-8-12(18)15(22)20-4-2-3-13(20)14(21)19-11-6-9(16)5-10(17)7-11;/h5-7,12-13H,2-4,8,18H2,1H3,(H,19,21);1H
InChIKeyRWUUKBOLFGFWIA-UHFFFAOYSA-N
XLogP2.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.70
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 81088765
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
CID 55911674
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120990196) is 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride is COCC(N)C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RWUUKBOLFGFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3.ClH/c1-23-8-12(18)15(22)20-4-2-3-13(20)14(21)19-11-6-9(16)5-10(17)7-11;/h5-7,12-13H,2-4,8,18H2,1H3,(H,19,21);1H.
What are the key properties of 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride?
1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 396.70 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120990196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).