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

C15H25NO5 — CID 60941962

IUPAC2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOC(=O)C(C)(C)NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25NO5/c1-14(2,13(20)21-3)16-11(17)9-15(10-12(18)19)7-5-4-6-8-15/h4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVSKFFYUSYWUMFU-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.87
Rot. Bonds6

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

2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 60941962) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID60941962
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOC(=O)C(C)(C)NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25NO5/c1-14(2,13(20)21-3)16-11(17)9-15(10-12(18)19)7-5-4-6-8-15/h4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVSKFFYUSYWUMFU-UHFFFAOYSA-N
XLogP1.87
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
2-[1-[2-(ethylsulfonyloxyamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 86736507
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106275578
2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 66184848
2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62086765

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 60941962) is 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is COC(=O)C(C)(C)NC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is VSKFFYUSYWUMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,13(20)21-3)16-11(17)9-15(10-12(18)19)7-5-4-6-8-15/h4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 60941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).