3-amino-4-cyclobutyl-4-(methylamino)butanoic acid

C9H18N2O2 — CID 116957961

IUPAC3-amino-4-cyclobutyl-4-(methylamino)butanoic acid
SMILESCNC(C(N)CC(=O)O)C1CCC1
InChIInChI=1S/C9H18N2O2/c1-11-9(6-3-2-4-6)7(10)5-8(12)13/h6-7,9,11H,2-5,10H2,1H3,(H,12,13)
InChIKeyXWFROQVPDGCJEU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid

3-amino-4-cyclobutyl-4-(methylamino)butanoic acid (PubChem CID 116957961) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name3-amino-4-cyclobutyl-4-(methylamino)butanoic acid
PubChem CID116957961
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-4-cyclobutyl-4-(methylamino)butanoic acid
SMILESCNC(C(N)CC(=O)O)C1CCC1
InChIInChI=1S/C9H18N2O2/c1-11-9(6-3-2-4-6)7(10)5-8(12)13/h6-7,9,11H,2-5,10H2,1H3,(H,12,13)
InChIKeyXWFROQVPDGCJEU-UHFFFAOYSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-cyclopentyl-5-methylhexanoic acid
CID 83909854
2-[cyclobutyl(methylamino)methyl]butanoic acid
CID 116959758
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519
4-amino-3-cyclopentylpentanoic acid
CID 66096453
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
(3S)-3-amino-4-[[(2R)-1-[[cyclobutyl(cyclopentyl)methyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 54502913
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
methyl 2-[cyclohexyl(methylamino)methyl]butanoate
CID 116960442

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid?
The IUPAC name of 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid (CID 116957961) is 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid.
What is the SMILES notation for 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid?
The canonical SMILES for 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid is CNC(C(N)CC(=O)O)C1CCC1.
What is the InChIKey of 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid?
The InChIKey is XWFROQVPDGCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-9(6-3-2-4-6)7(10)5-8(12)13/h6-7,9,11H,2-5,10H2,1H3,(H,12,13).
What are the key properties of 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid?
3-amino-4-cyclobutyl-4-(methylamino)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclobutyl-4-(methylamino)butanoic acid is sourced from PubChem (CID 116957961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).