1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 43351031

IUPAC1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(=O)c1cc(C(=O)NC2(C(=O)O)CCCC2)n(C)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-7-11(16(2)8-10)12(18)15-14(13(19)20)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyYREYFTIOZRCZQH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.35
Rot. Bonds4

About 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351031) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351031
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(=O)c1cc(C(=O)NC2(C(=O)O)CCCC2)n(C)c1
InChIInChI=1S/C14H18N2O4/c1-9(17)10-7-11(16(2)8-10)12(18)15-14(13(19)20)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyYREYFTIOZRCZQH-UHFFFAOYSA-N
XLogP1.35
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350928
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539118
1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639874
1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
4-acetyl-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65109852
(2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 30064792
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 45427860

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43351031) is 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(=O)c1cc(C(=O)NC2(C(=O)O)CCCC2)n(C)c1.
What is the InChIKey of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YREYFTIOZRCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)10-7-11(16(2)8-10)12(18)15-14(13(19)20)5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).