2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid

C14H25N3O3 — CID 81475038

IUPAC2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESCC1CN(C(=O)NC2(CC(=O)O)CCC2)CC1N(C)C
InChIInChI=1S/C14H25N3O3/c1-10-8-17(9-11(10)16(2)3)13(20)15-14(5-4-6-14)7-12(18)19/h10-11H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySIPCKJQLFQLPSM-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds4

About 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 81475038) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID81475038
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
SMILESCC1CN(C(=O)NC2(CC(=O)O)CCC2)CC1N(C)C
InChIInChI=1S/C14H25N3O3/c1-10-8-17(9-11(10)16(2)3)13(20)15-14(5-4-6-14)7-12(18)19/h10-11H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySIPCKJQLFQLPSM-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64701697
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid (CID 81475038) is 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid is CC1CN(C(=O)NC2(CC(=O)O)CCC2)CC1N(C)C.
What is the InChIKey of 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is SIPCKJQLFQLPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-8-17(9-11(10)16(2)3)13(20)15-14(5-4-6-14)7-12(18)19/h10-11H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 81475038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).