1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

C15H21N5O4 — CID 87385050

IUPAC1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESNc1ccc(N2CCC(O)C2NC=O)nc1N1CCCC1C(=O)O
InChIInChI=1S/C15H21N5O4/c16-9-3-4-12(20-7-5-11(22)14(20)17-8-21)18-13(9)19-6-1-2-10(19)15(23)24/h3-4,8,10-11,14,22H,1-2,5-7,16H2,(H,17,21)(H,23,24)
InChIKeyMFYRGENFJTXSPM-UHFFFAOYSA-N
MW335.36 g/mol
LogP-0.64
Rot. Bonds5

About 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 87385050) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID87385050
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESNc1ccc(N2CCC(O)C2NC=O)nc1N1CCCC1C(=O)O
InChIInChI=1S/C15H21N5O4/c16-9-3-4-12(20-7-5-11(22)14(20)17-8-21)18-13(9)19-6-1-2-10(19)15(23)24/h3-4,8,10-11,14,22H,1-2,5-7,16H2,(H,17,21)(H,23,24)
InChIKeyMFYRGENFJTXSPM-UHFFFAOYSA-N
XLogP-0.64
TPSA132.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid 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

1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 22598679
N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide
CID 87385411
N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide
CID 87385135
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
(2R)-1-(3,4-diamino-2-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 170309100
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 87385050) is 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is Nc1ccc(N2CCC(O)C2NC=O)nc1N1CCCC1C(=O)O.
What is the InChIKey of 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MFYRGENFJTXSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c16-9-3-4-12(20-7-5-11(22)14(20)17-8-21)18-13(9)19-6-1-2-10(19)15(23)24/h3-4,8,10-11,14,22H,1-2,5-7,16H2,(H,17,21)(H,23,24).
What are the key properties of 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of -0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 87385050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).