2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid

C16H22N2O3 — CID 75429183

IUPAC2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1C1CC1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(11(2)18(10)12-4-5-12)15(21)17-16(6-3-7-16)9-14(19)20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAQZUGUVAYYYOIJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 75429183) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID75429183
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1C1CC1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(11(2)18(10)12-4-5-12)15(21)17-16(6-3-7-16)9-14(19)20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAQZUGUVAYYYOIJ-UHFFFAOYSA-N
XLogP2.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butan-2-yl-2,5-dimethylpyrrole-3-carboxamide
CID 3928083
1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 17472947
3-[(5-Tert-butyl-2-methyl-1-propylpyrrole-3-carbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid
CID 118727466
5-{[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201385
9-(Hydroxymethyl)-5-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201504
1-(1-Cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidine-4-carboxamide
CID 17540600
2-[(2,5-Dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-propylamino]acetic acid
CID 86779618
methyl (3S)-3-[[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoate
CID 95967780
3-[(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidin-3-yl]propanoic acid
CID 97801312
N-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 99773788
1-ethyl-N-(3-methoxycyclobutyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 132357329
3-[[1-(cyclohexylmethyl)-2-methyl-5-[(3E,5E)-7,7,7-trifluoro-6-methyl-2-(1-methylcyclopropyl)hepta-1,3,5-trien-4-yl]pyrrole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 146357642

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid (CID 75429183) is 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid is Cc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1C1CC1.
What is the InChIKey of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is AQZUGUVAYYYOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-13(11(2)18(10)12-4-5-12)15(21)17-16(6-3-7-16)9-14(19)20/h8,12H,3-7,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 75429183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).