2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid

C12H22N2O3 — CID 113308644

IUPAC2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)C1(N)CCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-11(4-2,10(16)17)8-14-9(15)12(13)6-5-7-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJCJRYQBSJWZMHZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds6

About 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid

2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 113308644) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID113308644
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)C1(N)CCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-11(4-2,10(16)17)8-14-9(15)12(13)6-5-7-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJCJRYQBSJWZMHZ-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 113311791
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 113308641
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115430301
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
2-[[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 120533442
1-amino-N-(2-ethyl-2-phenylbutyl)cyclopentane-1-carboxamide
CID 119337633
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
2-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 107175829
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
2-ethyl-2-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]butanoic acid
CID 122128318
1-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 62519809

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid (CID 113308644) is 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)C1(N)CCC1)C(=O)O.
What is the InChIKey of 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is JCJRYQBSJWZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-11(4-2,10(16)17)8-14-9(15)12(13)6-5-7-12/h3-8,13H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 113308644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).