2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid

C14H24N2O3 — CID 54945218

IUPAC2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCC1CC(C)CN(C(=O)CN(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-10-5-11(2)7-16(6-10)13(17)8-15(9-14(18)19)12-3-4-12/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyNAXGBJOTBFYEEJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds5

About 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid

2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 54945218) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
PubChem CID54945218
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
SMILESCC1CC(C)CN(C(=O)CN(CC(=O)O)C2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-10-5-11(2)7-16(6-10)13(17)8-15(9-14(18)19)12-3-4-12/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyNAXGBJOTBFYEEJ-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 62015648
1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824
2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 66216113
1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 62027607
3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834885
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid
CID 81467953
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62822717
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid (CID 54945218) is 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is CC1CC(C)CN(C(=O)CN(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is NAXGBJOTBFYEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-5-11(2)7-16(6-10)13(17)8-15(9-14(18)19)12-3-4-12/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid?
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54945218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).