(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

C14H17N3O5 — CID 54431635

IUPAC(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O5/c1-8(13(20)17-6-2-3-10(17)14(21)22)16-12(19)9-4-5-11(18)15-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,18)(H,16,19)(H,21,22)/t8-,10-/m0/s1
InChIKeyWHWMWJAVUQHQQS-WPRPVWTQSA-N
MW307.31 g/mol
LogP-0.43
Rot. Bonds4

About (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 54431635) 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-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID54431635
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O5/c1-8(13(20)17-6-2-3-10(17)14(21)22)16-12(19)9-4-5-11(18)15-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,18)(H,16,19)(H,21,22)/t8-,10-/m0/s1
InChIKeyWHWMWJAVUQHQQS-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

Analyze (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-(2-((2S)-2-Carboxy-1-pyrrolidinyl)ethenyl)-2,3-dihydro-2,6-pyridinedicarboxylic acid
CID 164512847
ethyl (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679349
ethyl (2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 15679354
6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 23559871
(2S)-1-[(2S)-2-[(2-sulfanylidene-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 53772070
(2S)-1-[(2S)-2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54131269
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54269835
(2S)-1-[(2S)-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54283131
(2S)-1-[(2S)-2-[(6-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54397502
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54419282
(2S)-1-[(2S)-3-methyl-2-[(3-methylbenzene-4-ide-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid;yttrium
CID 57580286
(3S)-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 59038146

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 54431635) is (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WHWMWJAVUQHQQS-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-8(13(20)17-6-2-3-10(17)14(21)22)16-12(19)9-4-5-11(18)15-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,15,18)(H,16,19)(H,21,22)/t8-,10-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[(6-oxo-1H-pyridine-3-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-3-carbonyl)amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54431635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).