3-(cyclobutylmethylamino)-2-methylbutanoic acid

C10H19NO2 — CID 79390885

IUPAC3-(cyclobutylmethylamino)-2-methylbutanoic acid
SMILESCC(NCC1CCC1)C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(10(12)13)8(2)11-6-9-4-3-5-9/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyFFUKXOGTZDHVRF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About 3-(cyclobutylmethylamino)-2-methylbutanoic acid

3-(cyclobutylmethylamino)-2-methylbutanoic acid (PubChem CID 79390885) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-2-methylbutanoic acid
PubChem CID79390885
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(cyclobutylmethylamino)-2-methylbutanoic acid
SMILESCC(NCC1CCC1)C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(10(12)13)8(2)11-6-9-4-3-5-9/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyFFUKXOGTZDHVRF-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethylamino)-2-methylbutanoic acid
CID 79392139
2-methyl-3-[(4-methylcyclohexyl)methylamino]butanoic acid
CID 79398095
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
(2S)-N-(cyclobutylmethyl)-3-methylbutan-2-amine
CID 93279768
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
3-(cyclopentylmethylamino)butanoic acid
CID 43536958
3-(cyclobutylmethylamino)butanamide
CID 115676578
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-2-methylbutanoic acid?
The IUPAC name of 3-(cyclobutylmethylamino)-2-methylbutanoic acid (CID 79390885) is 3-(cyclobutylmethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 3-(cyclobutylmethylamino)-2-methylbutanoic acid?
The canonical SMILES for 3-(cyclobutylmethylamino)-2-methylbutanoic acid is CC(NCC1CCC1)C(C)C(=O)O.
What is the InChIKey of 3-(cyclobutylmethylamino)-2-methylbutanoic acid?
The InChIKey is FFUKXOGTZDHVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(10(12)13)8(2)11-6-9-4-3-5-9/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(cyclobutylmethylamino)-2-methylbutanoic acid?
3-(cyclobutylmethylamino)-2-methylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 79390885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).