2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid

C15H27N3O3 — CID 79842690

IUPAC2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESCCN(CC)C1CCN(C(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-17(4-2)12-6-9-18(11-12)14(21)16-15(7-5-8-15)10-13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyZCQUBCKLYRZQKU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 79842690) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID79842690
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESCCN(CC)C1CCN(C(=O)NC2(CC(=O)O)CCC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-17(4-2)12-6-9-18(11-12)14(21)16-15(7-5-8-15)10-13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyZCQUBCKLYRZQKU-UHFFFAOYSA-N
XLogP1.51
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[1-[(4-propan-2-ylazepane-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79842703
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
CID 79916518
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79851776
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 81475038

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid (CID 79842690) is 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid is CCN(CC)C1CCN(C(=O)NC2(CC(=O)O)CCC2)C1.
What is the InChIKey of 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is ZCQUBCKLYRZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-17(4-2)12-6-9-18(11-12)14(21)16-15(7-5-8-15)10-13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).