2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid

C14H27N3O3 — CID 83019502

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C14H27N3O3/c1-10(2)8-16(9-13(18)19)14(20)15-17-11(3)6-5-7-12(17)4/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyUQTBHVIBADBFHT-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 83019502) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID83019502
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C14H27N3O3/c1-10(2)8-16(9-13(18)19)14(20)15-17-11(3)6-5-7-12(17)4/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyUQTBHVIBADBFHT-UHFFFAOYSA-N
XLogP1.92
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83018780
3-[Tert-butyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]propanoic acid
CID 83017632
2-[Cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
CID 83018482
2-[4-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83018483
2-[Ethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
CID 83019494
2-[(2,6-Dimethylpiperidin-1-yl)carbamoylamino]acetic acid
CID 83019507
2-[Cyclopropylmethyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
CID 83019509
2-[Carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
CID 83019576
2-[(2,6-Dimethylpiperidin-1-yl)carbamoylamino]propanoic acid
CID 83019590
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 83019591
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl-methylamino]butanoic acid
CID 83019593
2-[Cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid
CID 83019600

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid (CID 83019502) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NN1C(C)CCCC1C.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is UQTBHVIBADBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)8-16(9-13(18)19)14(20)15-17-11(3)6-5-7-12(17)4/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 83019502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).