2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid

C14H20N2O4 — CID 62032815

IUPAC2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)c1cc(C(=O)N(CC(=O)O)CC(C)C)n(C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)6-16(8-13(18)19)14(20)12-5-11(10(3)17)7-15(12)4/h5,7,9H,6,8H2,1-4H3,(H,18,19)
InChIKeyJVLVREXLXOQTSJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.41
Rot. Bonds6

About 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 62032815) 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)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID62032815
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)c1cc(C(=O)N(CC(=O)O)CC(C)C)n(C)c1
InChIInChI=1S/C14H20N2O4/c1-9(2)6-16(8-13(18)19)14(20)12-5-11(10(3)17)7-15(12)4/h5,7,9H,6,8H2,1-4H3,(H,18,19)
InChIKeyJVLVREXLXOQTSJ-UHFFFAOYSA-N
XLogP1.41
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655375
4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61110497
3-[(4-bromo-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119189960
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 43432093
2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid
CID 63070679
4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 120885992
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
4-acetyl-N,1-dimethyl-N-prop-2-ynylpyrrole-2-carboxamide
CID 100611029
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 62032815) is 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(=O)c1cc(C(=O)N(CC(=O)O)CC(C)C)n(C)c1.
What is the InChIKey of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is JVLVREXLXOQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)6-16(8-13(18)19)14(20)12-5-11(10(3)17)7-15(12)4/h5,7,9H,6,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62032815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).