2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid

C15H27N3O3 — CID 122025331

IUPAC2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCC2(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-4-17(10-13(19)20)12-8-11(9-12)16-14(21)18-7-5-6-15(18,2)3/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyFPUMGVRSNNDEQT-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds5

About 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122025331) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122025331
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCC2(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-4-17(10-13(19)20)12-8-11(9-12)16-14(21)18-7-5-6-15(18,2)3/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyFPUMGVRSNNDEQT-UHFFFAOYSA-N
XLogP1.51
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-[[2-methyl-2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026472
2-[ethyl-[3-[(2,2,4-trimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026329
2-[ethyl-[3-[(4-ethyl-1,4-diazepane-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026148
2-[ethyl-[3-(6-oxa-9-azaspiro[4.5]decane-9-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026192
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[ethyl-[3-[(2-methylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025885
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026142
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006
2-[[3-(1,4-diazabicyclo[3.2.2]nonane-4-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122025917
2-[[3-[(3-cyclopropylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025748
2-[[3-[2-(azepan-1-yl)propanoylamino]cyclobutyl]-ethylamino]acetic acid
CID 128996384

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122025331) is 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCCC2(C)C)C1.
What is the InChIKey of 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is FPUMGVRSNNDEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-17(10-13(19)20)12-8-11(9-12)16-14(21)18-7-5-6-15(18,2)3/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122025331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).