4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid

C15H18N2O3S — CID 62041572

IUPAC4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H18N2O3S/c1-15(2,7-5-12(18)19)16-14(20)13-11(6-10-21-13)17-8-3-4-9-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWYZSZZIWXSJGLV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.91
Rot. Bonds6

About 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid

4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 62041572) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
PubChem CID62041572
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H18N2O3S/c1-15(2,7-5-12(18)19)16-14(20)13-11(6-10-21-13)17-8-3-4-9-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWYZSZZIWXSJGLV-UHFFFAOYSA-N
XLogP2.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
2-[tert-butyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79262023
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891
4-[(4-tert-butylthiadiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 65205797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid (CID 62041572) is 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1sccc1-n1cccc1.
What is the InChIKey of 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is WYZSZZIWXSJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,7-5-12(18)19)16-14(20)13-11(6-10-21-13)17-8-3-4-9-17/h3-4,6,8-10H,5,7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid?
4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 306.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62041572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).