2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid

C13H24N2O3 — CID 113311791

IUPAC2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)C1(CN)CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-12(4-2,11(17)18)9-15-10(16)13(8-14)6-5-7-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVPSACENOZMZMNU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds7

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

2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 113311791) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID113311791
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)C1(CN)CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-12(4-2,11(17)18)9-15-10(16)13(8-14)6-5-7-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVPSACENOZMZMNU-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-aminocyclobutanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308644
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)-N-(2-hydroxy-2-methylpentyl)cyclobutane-1-carboxamide
CID 106292120
2-[[(3-aminooxolane-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 115430426
1-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutane-1-carboxamide
CID 106291037
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]butanoic acid
CID 115448625
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115430301
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 115435181
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
2-[[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 120533442
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid (CID 113311791) is 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)C1(CN)CCC1)C(=O)O.
What is the InChIKey of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is VPSACENOZMZMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-12(4-2,11(17)18)9-15-10(16)13(8-14)6-5-7-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 113311791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).