2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid

C14H21N3O3S — CID 63114438

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCC(C)N1CCC(CNC(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C14H21N3O3S/c1-9(2)17-5-3-10(8-17)7-15-14(20)16-12-11(13(18)19)4-6-21-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeySBRKZNMRHRFSKG-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.30
Rot. Bonds5

About 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid

2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114438) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114438
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCC(C)N1CCC(CNC(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C14H21N3O3S/c1-9(2)17-5-3-10(8-17)7-15-14(20)16-12-11(13(18)19)4-6-21-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeySBRKZNMRHRFSKG-UHFFFAOYSA-N
XLogP2.30
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-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-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
2-[(2-hydroxycyclohexyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 64912939
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea
CID 52524542
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 56518670
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
(2S)-2-hydroxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]propanoic acid
CID 107839496
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191805

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid (CID 63114438) is 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid is CC(C)N1CCC(CNC(=O)Nc2sccc2C(=O)O)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is SBRKZNMRHRFSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9(2)17-5-3-10(8-17)7-15-14(20)16-12-11(13(18)19)4-6-21-12/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid?
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).