(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide

C15H20ClN3O2 — CID 42618119

IUPAC(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-18-14(20)13-3-2-8-19(13)15(21)12(17)9-10-4-6-11(16)7-5-10/h4-7,12-13H,2-3,8-9,17H2,1H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyHOXIAHKPNSRXDJ-OLZOCXBDSA-N
MW309.80 g/mol
LogP0.95
Rot. Bonds4

About (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 42618119) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID42618119
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-18-14(20)13-3-2-8-19(13)15(21)12(17)9-10-4-6-11(16)7-5-10/h4-7,12-13H,2-3,8-9,17H2,1H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyHOXIAHKPNSRXDJ-OLZOCXBDSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide (CID 42618119) is (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HOXIAHKPNSRXDJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-18-14(20)13-3-2-8-19(13)15(21)12(17)9-10-4-6-11(16)7-5-10/h4-7,12-13H,2-3,8-9,17H2,1H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).