2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

C14H20N2O4 — CID 65218762

IUPAC2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(C(C)=O)cn1C)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-5-10(14(19)20)7-15-13(18)12-6-11(9(2)17)8-16(12)3/h6,8,10H,4-5,7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyVDAIOIZUTHOBST-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.46
Rot. Bonds7

About 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218762) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218762
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc(C(C)=O)cn1C)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-5-10(14(19)20)7-15-13(18)12-6-11(9(2)17)8-16(12)3/h6,8,10H,4-5,7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyVDAIOIZUTHOBST-UHFFFAOYSA-N
XLogP1.46
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pentanoic acid
CID 93252336
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
CID 120832160
2-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]butanoic acid
CID 65219976
1-methyl-4-(2-propylpentanoyl)pyrrole-2-carboxylic acid
CID 82985303
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243298
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153771
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
methyl 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]acetate
CID 43409093
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid (CID 65218762) is 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cc(C(C)=O)cn1C)C(=O)O.
What is the InChIKey of 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is VDAIOIZUTHOBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-5-10(14(19)20)7-15-13(18)12-6-11(9(2)17)8-16(12)3/h6,8,10H,4-5,7H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid?
2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).