2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid

C16H23N3O5 — CID 120523930

IUPAC2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-9(2)18-16(23)19-6-4-5-13(19)14(20)17-8-11-7-12(15(21)22)10(3)24-11/h7,9,13H,4-6,8H2,1-3H3,(H,17,20)(H,18,23)(H,21,22)/t13-/m0/s1
InChIKeyGEXZDEXXVHBBCF-ZDUSSCGKSA-N
MW337.38 g/mol
LogP1.48
Rot. Bonds5

About 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 120523930) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID120523930
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-9(2)18-16(23)19-6-4-5-13(19)14(20)17-8-11-7-12(15(21)22)10(3)24-11/h7,9,13H,4-6,8H2,1-3H3,(H,17,20)(H,18,23)(H,21,22)/t13-/m0/s1
InChIKeyGEXZDEXXVHBBCF-ZDUSSCGKSA-N
XLogP1.48
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61200264
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226798
5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102783248
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226239
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441
(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 101048119
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 120523930) is 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is GEXZDEXXVHBBCF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-9(2)18-16(23)19-6-4-5-13(19)14(20)17-8-11-7-12(15(21)22)10(3)24-11/h7,9,13H,4-6,8H2,1-3H3,(H,17,20)(H,18,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 120523930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).