3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid

C10H19NO2 — CID 103264847

IUPAC3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-10(3)5-4-6-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyXEHMJDHKLBKAAW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds4

About 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid

3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid (PubChem CID 103264847) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
PubChem CID103264847
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid
SMILESCC(C)C(NC1(C)CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-10(3)5-4-6-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyXEHMJDHKLBKAAW-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(1-methylcyclohexyl)amino]butanoic acid
CID 103244876
3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264016
2-methyl-3-[(1-methylcyclohexyl)amino]butanoic acid
CID 103718946
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
2,3-dimethyl-4-[(1-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 103498024
2,3,3-trimethyl-N-(1-methylcyclobutyl)butanamide
CID 146286414
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
3-methyl-2-[[1-(3-methylcyclohexyl)cycloheptyl]amino]butanoic acid
CID 175398948
2-[(1-methylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 61364601
3,3-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]butanoic acid
CID 64689246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid (CID 103264847) is 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid is CC(C)C(NC1(C)CCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
The InChIKey is XEHMJDHKLBKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-10(3)5-4-6-10/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid?
3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylcyclobutyl)amino]butanoic acid is sourced from PubChem (CID 103264847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).