4-(cyclobutylmethylamino)-2-methylbutanoic acid

C10H19NO2 — CID 115220789

IUPAC4-(cyclobutylmethylamino)-2-methylbutanoic acid
SMILESCC(CCNCC1CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)5-6-11-7-9-3-2-4-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyFBMLEPHGCWCBBQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds6

About 4-(cyclobutylmethylamino)-2-methylbutanoic acid

4-(cyclobutylmethylamino)-2-methylbutanoic acid (PubChem CID 115220789) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(cyclobutylmethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(cyclobutylmethylamino)-2-methylbutanoic acid
PubChem CID115220789
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(cyclobutylmethylamino)-2-methylbutanoic acid
SMILESCC(CCNCC1CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)5-6-11-7-9-3-2-4-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyFBMLEPHGCWCBBQ-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
4-(cyclobutylmethylamino)butan-2-one
CID 115235753
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(cyclobutylmethylamino)-2-methylbutanoic acid (CID 115220789) is 4-(cyclobutylmethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(cyclobutylmethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(cyclobutylmethylamino)-2-methylbutanoic acid is CC(CCNCC1CCC1)C(=O)O.
What is the InChIKey of 4-(cyclobutylmethylamino)-2-methylbutanoic acid?
The InChIKey is FBMLEPHGCWCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13)5-6-11-7-9-3-2-4-9/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-(cyclobutylmethylamino)-2-methylbutanoic acid?
4-(cyclobutylmethylamino)-2-methylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 115220789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).