2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid

C14H26N2O4 — CID 83995389

IUPAC2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
SMILESCOC(=O)C1CC(NCC(C)(C)C)CN(CC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)9-15-11-5-10(13(19)20-4)6-16(7-11)8-12(17)18/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyBNYXAKAKBOENMQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.57
Rot. Bonds5

About 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid

2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid (PubChem CID 83995389) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
PubChem CID83995389
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
SMILESCOC(=O)C1CC(NCC(C)(C)C)CN(CC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)9-15-11-5-10(13(19)20-4)6-16(7-11)8-12(17)18/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyBNYXAKAKBOENMQ-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
CID 83995381
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid
CID 123874250
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995032
2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83994003

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid (CID 83995389) is 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid is COC(=O)C1CC(NCC(C)(C)C)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid?
The InChIKey is BNYXAKAKBOENMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)9-15-11-5-10(13(19)20-4)6-16(7-11)8-12(17)18/h10-11,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid?
2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid is sourced from PubChem (CID 83995389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).