(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid

C11H17N3O6 — CID 51036487

IUPAC(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C11H17N3O6/c15-8(14-7(11(19)20)4-9(16)17)5-13-10(18)6-2-1-3-12-6/h6-7,12H,1-5H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKeyULIWFCCJIOEHMU-BQBZGAKWSA-N
MW287.27 g/mol
LogP-2.10
Rot. Bonds7

About (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid

(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid (PubChem CID 51036487) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
PubChem CID51036487
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
SMILESO=C(O)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C11H17N3O6/c15-8(14-7(11(19)20)4-9(16)17)5-13-10(18)6-2-1-3-12-6/h6-7,12H,1-5H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKeyULIWFCCJIOEHMU-BQBZGAKWSA-N
XLogP-2.10
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid with MolForge

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Related Compounds

2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223477
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]butanedioic acid
CID 18223497
2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223690
(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-5-amino-5-oxo-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 71353098
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476
4-amino-2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-4-oxobutanoic acid
CID 18223476
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 145457422
(2S,3R)-3-hydroxy-2-[[2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 175911155
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
(2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]pentanoic acid
CID 131726332
(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 143102734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid?
The IUPAC name of (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid (CID 51036487) is (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid.
What is the SMILES notation for (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid?
The canonical SMILES for (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid is O=C(O)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid?
The InChIKey is ULIWFCCJIOEHMU-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H17N3O6/c15-8(14-7(11(19)20)4-9(16)17)5-13-10(18)6-2-1-3-12-6/h6-7,12H,1-5H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid?
(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid has a molecular weight of 287.27 g/mol, XLogP of -2.10, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid is sourced from PubChem (CID 51036487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).