2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid

C13H24N2O3 — CID 81172480

IUPAC2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CC1(CN)CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-12(2,11(17)18)15-10(16)8-13(9-14)6-4-7-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVZXAAZCICQXNQS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds7

About 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid (PubChem CID 81172480) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid
PubChem CID81172480
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)CC1(CN)CCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-5-12(2,11(17)18)15-10(16)8-13(9-14)6-4-7-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVZXAAZCICQXNQS-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 81169789
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide
CID 106328639
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
CID 61162004
2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 115441849
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
CID 79473096
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclohexyl]-N-[3-(2-methylpentan-2-ylsulfanyl)propyl]acetamide
CID 155427786

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid (CID 81172480) is 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)CC1(CN)CCC1)C(=O)O.
What is the InChIKey of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid?
The InChIKey is VZXAAZCICQXNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-12(2,11(17)18)15-10(16)8-13(9-14)6-4-7-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid?
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 81172480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).