(2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile

C18H19N3O2 — CID 23645378

IUPAC(2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H19N3O2/c19-12-15-3-1-9-21(15)18(22)16(20)11-13-5-7-14(8-6-13)17-4-2-10-23-17/h2,4-8,10,15-16H,1,3,9,11,20H2/t15-,16-/m0/s1
InChIKeySVCMTPJODOREKO-HOTGVXAUSA-N
MW309.37 g/mol
LogP2.33
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile (PubChem CID 23645378) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
PubChem CID23645378
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H19N3O2/c19-12-15-3-1-9-21(15)18(22)16(20)11-13-5-7-14(8-6-13)17-4-2-10-23-17/h2,4-8,10,15-16H,1,3,9,11,20H2/t15-,16-/m0/s1
InChIKeySVCMTPJODOREKO-HOTGVXAUSA-N
XLogP2.33
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile (CID 23645378) is (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccco2)cc1.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is SVCMTPJODOREKO-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-12-15-3-1-9-21(15)18(22)16(20)11-13-5-7-14(8-6-13)17-4-2-10-23-17/h2,4-8,10,15-16H,1,3,9,11,20H2/t15-,16-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 23645378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).