2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid

C16H30N2O3 — CID 65242905

IUPAC2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
SMILESCC(C)CNC(=O)C(C)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-17-15(21)13(3)18(4)16(10-14(19)20)8-6-5-7-9-16/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyICEHWWKRFFPWJY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds7

About 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid

2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid (PubChem CID 65242905) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
PubChem CID65242905
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
SMILESCC(C)CNC(=O)C(C)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-17-15(21)13(3)18(4)16(10-14(19)20)8-6-5-7-9-16/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyICEHWWKRFFPWJY-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid
CID 65243291
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[4-methoxybutan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 65241027
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 113490296
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(1-pyridin-4-ylethyl)amino]cyclohexyl]acetic acid
CID 65240734
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid (CID 65242905) is 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid is CC(C)CNC(=O)C(C)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid?
The InChIKey is ICEHWWKRFFPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)11-17-15(21)13(3)18(4)16(10-14(19)20)8-6-5-7-9-16/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid?
2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).