2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid

C15H26N2O3 — CID 81162365

IUPAC2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCC1(CNC(=O)NCC2(CC(=O)O)CCC2)CCCC1
InChIInChI=1S/C15H26N2O3/c1-14(5-2-3-6-14)10-16-13(20)17-11-15(7-4-8-15)9-12(18)19/h2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHAKUFTISTIIFAN-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds6

About 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81162365) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81162365
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
SMILESCC1(CNC(=O)NCC2(CC(=O)O)CCC2)CCCC1
InChIInChI=1S/C15H26N2O3/c1-14(5-2-3-6-14)10-16-13(20)17-11-15(7-4-8-15)9-12(18)19/h2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyHAKUFTISTIIFAN-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
1-methyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735098
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclobutyl]acetic acid
CID 107000485
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[(3-methylsulfanylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 113494169
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid (CID 81162365) is 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid is CC1(CNC(=O)NCC2(CC(=O)O)CCC2)CCCC1.
What is the InChIKey of 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is HAKUFTISTIIFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(5-2-3-6-14)10-16-13(20)17-11-15(7-4-8-15)9-12(18)19/h2-11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).