1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid

C13H24N2O4 — CID 83995388

IUPAC1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
SMILESCC(C)(C)CNC1CC(C(=O)O)CN(CC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)8-14-10-4-9(12(18)19)5-15(6-10)7-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCTYMMZXDQFBQIL-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.48
Rot. Bonds5

About 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid

1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid (PubChem CID 83995388) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
PubChem CID83995388
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
SMILESCC(C)(C)CNC1CC(C(=O)O)CN(CC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)8-14-10-4-9(12(18)19)5-15(6-10)7-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCTYMMZXDQFBQIL-UHFFFAOYSA-N
XLogP0.48
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
CID 83995389
2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
CID 83995381
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995032
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992653

Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid (CID 83995388) is 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid is CC(C)(C)CNC1CC(C(=O)O)CN(CC(=O)O)C1.
What is the InChIKey of 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The InChIKey is CTYMMZXDQFBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)8-14-10-4-9(12(18)19)5-15(6-10)7-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83995388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).