2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid

C15H28N2O4 — CID 65243385

IUPAC2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
SMILESCOCC(C)NC(=O)CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O4/c1-12(11-21-3)16-13(18)10-17(2)15(9-14(19)20)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyIDRQMFYGJVHPTJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.25
Rot. Bonds8

About 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid

2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid (PubChem CID 65243385) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
PubChem CID65243385
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
SMILESCOCC(C)NC(=O)CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H28N2O4/c1-12(11-21-3)16-13(18)10-17(2)15(9-14(19)20)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyIDRQMFYGJVHPTJ-UHFFFAOYSA-N
XLogP1.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[1-[(3-methoxy-2-methylpropyl)-methylamino]cyclohexyl]acetic acid
CID 116503333
2-[1-[4-methoxybutan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 65241027
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65242994
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835046
2-[1-[3-methoxypropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243348
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 113293822
3-[cyclopropyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 54925563
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid (CID 65243385) is 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid is COCC(C)NC(=O)CN(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
The InChIKey is IDRQMFYGJVHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(11-21-3)16-13(18)10-17(2)15(9-14(19)20)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).