2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid

C16H27N3O5 — CID 122026142

IUPAC2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCC2CC(=O)OC)C1
InChIInChI=1S/C16H27N3O5/c1-3-18(10-14(20)21)13-7-11(8-13)17-16(23)19-6-4-5-12(19)9-15(22)24-2/h11-13H,3-10H2,1-2H3,(H,17,23)(H,20,21)
InChIKeyRHUFOXMHGNWORZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.66
Rot. Bonds7

About 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122026142) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122026142
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Name2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCC2CC(=O)OC)C1
InChIInChI=1S/C16H27N3O5/c1-3-18(10-14(20)21)13-7-11(8-13)17-16(23)19-6-4-5-12(19)9-15(22)24-2/h11-13H,3-10H2,1-2H3,(H,17,23)(H,20,21)
InChIKeyRHUFOXMHGNWORZ-UHFFFAOYSA-N
XLogP0.66
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026790
2-[[3-(1,4-diazabicyclo[3.2.2]nonane-4-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122025917
2-[ethyl-[3-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025883
2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025635
2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025331
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122001579
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[ethyl-[3-[(3-propylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026226
2-[ethyl-[3-[[(2S)-1-propylpyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122014146
2-[ethyl-[3-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025951
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (CID 122026142) is 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCCC2CC(=O)OC)C1.
What is the InChIKey of 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is RHUFOXMHGNWORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-3-18(10-14(20)21)13-7-11(8-13)17-16(23)19-6-4-5-12(19)9-15(22)24-2/h11-13H,3-10H2,1-2H3,(H,17,23)(H,20,21).
What are the key properties of 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).