2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H25NO3 — CID 113485316

IUPAC2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC1(NC(=O)CC2(CC(=O)O)CCCCC2)CCC1
InChIInChI=1S/C15H25NO3/c1-14(6-5-7-14)16-12(17)10-15(11-13(18)19)8-3-2-4-9-15/h2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeySRAKBYLVBNYMEJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.86
Rot. Bonds5

About 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 113485316) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID113485316
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC1(NC(=O)CC2(CC(=O)O)CCCCC2)CCC1
InChIInChI=1S/C15H25NO3/c1-14(6-5-7-14)16-12(17)10-15(11-13(18)19)8-3-2-4-9-15/h2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeySRAKBYLVBNYMEJ-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
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-aminocyclopentyl)-N-(1-methylcyclopentyl)acetamide
CID 64677004
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
N-(1-methylcyclobutyl)propanamide
CID 115766065
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 113485316) is 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CC1(NC(=O)CC2(CC(=O)O)CCCCC2)CCC1.
What is the InChIKey of 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is SRAKBYLVBNYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(6-5-7-14)16-12(17)10-15(11-13(18)19)8-3-2-4-9-15/h2-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 113485316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).