(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide

C13H17Cl2N3O — CID 23647089

IUPAC(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1
InChIInChI=1S/C13H17Cl2N3O/c1-2-17-13(19)18-6-10(12(16)7-18)9-4-3-8(14)5-11(9)15/h3-5,10,12H,2,6-7,16H2,1H3,(H,17,19)/t10-,12+/m1/s1
InChIKeyUHKRQTYPJJOITM-PWSUYJOCSA-N
MW302.21 g/mol
LogP2.45
Rot. Bonds2

About (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide

(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide (PubChem CID 23647089) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide
PubChem CID23647089
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1
InChIInChI=1S/C13H17Cl2N3O/c1-2-17-13(19)18-6-10(12(16)7-18)9-4-3-8(14)5-11(9)15/h3-5,10,12H,2,6-7,16H2,1H3,(H,17,19)/t10-,12+/m1/s1
InChIKeyUHKRQTYPJJOITM-PWSUYJOCSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide (CID 23647089) is (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is UHKRQTYPJJOITM-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-2-17-13(19)18-6-10(12(16)7-18)9-4-3-8(14)5-11(9)15/h3-5,10,12H,2,6-7,16H2,1H3,(H,17,19)/t10-,12+/m1/s1.
What are the key properties of (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide?
(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 23647089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).