dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride

C19H26Li2N2O6 — CID 173406469

IUPACdilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride
SMILESC[C@H](NC(=O)C(CC(=O)O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C19H24N2O6.2Li.2H/c1-12(18(25)21-9-5-8-15(21)19(26)27)20-17(24)14(11-16(22)23)10-13-6-3-2-4-7-13;;;;/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,20,24)(H,22,23)(H,26,27);;;;/q;2*+1;2*-1/t12-,14?,15-;;;;/m0..../s1
InChIKeyYOAOKFRULZVDLK-SWWLIJFXSA-N
MW392.31 g/mol
LogP-4.87
Rot. Bonds8

About dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride

dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride (PubChem CID 173406469) has the molecular formula C19H26Li2N2O6 and a molecular weight of 392.31 g/mol. Its IUPAC name is dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride.

Molecular Properties

Compound Namedilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride
PubChem CID173406469
Molecular FormulaC19H26Li2N2O6
Molecular Weight392.31 g/mol
Exact Mass392.21
IUPAC Namedilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride
SMILESC[C@H](NC(=O)C(CC(=O)O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C19H24N2O6.2Li.2H/c1-12(18(25)21-9-5-8-15(21)19(26)27)20-17(24)14(11-16(22)23)10-13-6-3-2-4-7-13;;;;/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,20,24)(H,22,23)(H,26,27);;;;/q;2*+1;2*-1/t12-,14?,15-;;;;/m0..../s1
InChIKeyYOAOKFRULZVDLK-SWWLIJFXSA-N
XLogP-4.87
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 5-4.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
1-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 18296613
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
(2S)-1-[(2S)-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70561743
(2R)-1-[(2S)-2-(3-hydroxybutanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 71407969
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
(2S)-2-[[(2S)-1-[(2S)-2-[(2-bromo-3-phenylpropanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 70437595
2-[[1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 21480374
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 10388879
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 24998056

Frequently Asked Questions

What is the IUPAC name of dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride?
The IUPAC name of dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride (CID 173406469) is dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride.
What is the SMILES notation for dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride?
The canonical SMILES for dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride is C[C@H](NC(=O)C(CC(=O)O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride?
The InChIKey is YOAOKFRULZVDLK-SWWLIJFXSA-N. The full InChI is InChI=1S/C19H24N2O6.2Li.2H/c1-12(18(25)21-9-5-8-15(21)19(26)27)20-17(24)14(11-16(22)23)10-13-6-3-2-4-7-13;;;;/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,20,24)(H,22,23)(H,26,27);;;;/q;2*+1;2*-1/t12-,14?,15-;;;;/m0..../s1.
What are the key properties of dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride?
dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride has a molecular weight of 392.31 g/mol, XLogP of -4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(2S)-1-[(2S)-2-[(2-benzyl-3-carboxypropanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid;hydride is sourced from PubChem (CID 173406469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).