2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid

C15H27N3O3 — CID 81464306

IUPAC2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
SMILESCC1CN(C(=O)N2CCC(CC(=O)O)CC2)CC1N(C)C
InChIInChI=1S/C15H27N3O3/c1-11-9-18(10-13(11)16(2)3)15(21)17-6-4-12(5-7-17)8-14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyFLTVWZDMKGTUII-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.17
Rot. Bonds3

About 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid

2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 81464306) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
PubChem CID81464306
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
SMILESCC1CN(C(=O)N2CCC(CC(=O)O)CC2)CC1N(C)C
InChIInChI=1S/C15H27N3O3/c1-11-9-18(10-13(11)16(2)3)15(21)17-6-4-12(5-7-17)8-14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyFLTVWZDMKGTUII-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 114594420
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
CID 81475507
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid (CID 81464306) is 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid is CC1CN(C(=O)N2CCC(CC(=O)O)CC2)CC1N(C)C.
What is the InChIKey of 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is FLTVWZDMKGTUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-9-18(10-13(11)16(2)3)15(21)17-6-4-12(5-7-17)8-14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 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]piperidin-4-yl]acetic acid is sourced from PubChem (CID 81464306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).