2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid

C13H25N3O3 — CID 83266595

IUPAC2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-7-16(10-12(17)18)11-5-8-15(9-6-11)13(19)14(2)3/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyPEJRLQUQLCNXEH-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.93
Rot. Bonds5

About 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid

2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid (PubChem CID 83266595) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid
PubChem CID83266595
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-7-16(10-12(17)18)11-5-8-15(9-6-11)13(19)14(2)3/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyPEJRLQUQLCNXEH-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[(1-methylpyrrolidin-3-yl)-propylamino]acetic acid
CID 65065282
2-[(3,3-dimethylcyclopentyl)-propylamino]acetic acid
CID 80699036
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
2-[(3-ethylcyclopentyl)-propylamino]acetic acid
CID 65064749
2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
CID 65064834
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
2-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]acetic acid
CID 62206678

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid?
The IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid (CID 83266595) is 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid is CCCN(CC(=O)O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid?
The InChIKey is PEJRLQUQLCNXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-7-16(10-12(17)18)11-5-8-15(9-6-11)13(19)14(2)3/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid?
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid is sourced from PubChem (CID 83266595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).