4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid

C14H22N2O4 — CID 114608778

IUPAC4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
SMILESCOCCn1cccc1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H22N2O4/c1-14(2,7-6-12(17)18)15-13(19)11-5-4-8-16(11)9-10-20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyIPSNCSHTZSTNKE-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.51
Rot. Bonds8

About 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid

4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 114608778) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
PubChem CID114608778
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid
SMILESCOCCn1cccc1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H22N2O4/c1-14(2,7-6-12(17)18)15-13(19)11-5-4-8-16(11)9-10-20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyIPSNCSHTZSTNKE-UHFFFAOYSA-N
XLogP1.51
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate
CID 104940065
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610479

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid (CID 114608778) is 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid is COCCn1cccc1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is IPSNCSHTZSTNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,7-6-12(17)18)15-13(19)11-5-4-8-16(11)9-10-20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid?
4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 114608778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).