(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C14H17N3O5 — CID 54419282

IUPAC(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](NC(=O)c1cccc(=O)[nH]1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O5/c1-8(13(20)17-7-3-5-10(17)14(21)22)15-12(19)9-4-2-6-11(18)16-9/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,19)(H,16,18)(H,21,22)/t8-,10-/m0/s1
InChIKeyVZQPTQGMNYITMW-WPRPVWTQSA-N
MW307.31 g/mol
LogP-0.43
Rot. Bonds4

About (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 54419282) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID54419282
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](NC(=O)c1cccc(=O)[nH]1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O5/c1-8(13(20)17-7-3-5-10(17)14(21)22)15-12(19)9-4-2-6-11(18)16-9/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,19)(H,16,18)(H,21,22)/t8-,10-/m0/s1
InChIKeyVZQPTQGMNYITMW-WPRPVWTQSA-N
XLogP-0.43
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 54419282) is (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](NC(=O)c1cccc(=O)[nH]1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VZQPTQGMNYITMW-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-8(13(20)17-7-3-5-10(17)14(21)22)15-12(19)9-4-2-6-11(18)16-9/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,19)(H,16,18)(H,21,22)/t8-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54419282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).