2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid

C14H26N2O3 — CID 81163219

IUPAC2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCCC(CC)N(C)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-4-11(5-2)16(3)13(19)15-10-14(7-6-8-14)9-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYEPMNLYFPUXKHL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds7

About 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81163219) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81163219
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
SMILESCCC(CC)N(C)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-4-11(5-2)16(3)13(19)15-10-14(7-6-8-14)9-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyYEPMNLYFPUXKHL-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012
2-[1-[[[cyclopentyl(ethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163144
2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81162549
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81156346
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334
2-[1-[[[methyl(2-methylsulfanylethyl)carbamoyl]amino]methyl]cyclohexyl]acetic acid
CID 115986459
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163231

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid (CID 81163219) is 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid is CCC(CC)N(C)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is YEPMNLYFPUXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11(5-2)16(3)13(19)15-10-14(7-6-8-14)9-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).