2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

C15H28N2O3 — CID 63066641

IUPAC2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)9-17(11-15(19)20)10-14(18)16(3)13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyPQODVGFVULKDBB-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds7

About 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63066641) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63066641
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12(2)9-17(11-15(19)20)10-14(18)16(3)13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyPQODVGFVULKDBB-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82327378
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083126
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964383
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (CID 63066641) is 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is PQODVGFVULKDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)9-17(11-15(19)20)10-14(18)16(3)13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).