(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid

C14H16Cl2N2O3 — CID 58221934

IUPAC(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCCC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-4-3-9(11(16)8-10)7-12(13(19)20)17-14(21)18-5-1-2-6-18/h3-4,8,12H,1-2,5-7H2,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyMXTYPVKTDWXXLC-GFCCVEGCSA-N
MW331.20 g/mol
LogP2.79
Rot. Bonds4

About (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid

(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid (PubChem CID 58221934) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
PubChem CID58221934
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCCC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-4-3-9(11(16)8-10)7-12(13(19)20)17-14(21)18-5-1-2-6-18/h3-4,8,12H,1-2,5-7H2,(H,17,21)(H,19,20)/t12-/m1/s1
InChIKeyMXTYPVKTDWXXLC-GFCCVEGCSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid (CID 58221934) is (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid is O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCCC1.
What is the InChIKey of (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
The InChIKey is MXTYPVKTDWXXLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-4-3-9(11(16)8-10)7-12(13(19)20)17-14(21)18-5-1-2-6-18/h3-4,8,12H,1-2,5-7H2,(H,17,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid?
(2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid has a molecular weight of 331.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 58221934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).