2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid

C10H19NO4 — CID 86727916

IUPAC2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid
SMILESCCC(N)COC(=O)C(C)(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-7(11)6-15-9(14)10(3,5-2)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyGELISUBLCINYTO-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.77
Rot. Bonds6

About 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid

2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid (PubChem CID 86727916) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid
PubChem CID86727916
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid
SMILESCCC(N)COC(=O)C(C)(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-7(11)6-15-9(14)10(3,5-2)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyGELISUBLCINYTO-UHFFFAOYSA-N
XLogP0.77
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminobutyl 2-methylpropanoate
CID 123412425
4-amino-2,2-dimethylhexanoic acid
CID 91454797
3-ethoxycarbonyl-3-methyl-2-oxopentanoic acid
CID 19882273
2-(2-aminobutoxy)butanoic acid
CID 82352925
2-ethoxycarbonyl-4-fluoro-2-methylbutanoic acid
CID 103973740
2-carbamoyl-4-ethoxy-2-methylbutanoic acid
CID 114899702
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
3-amino-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 151789983
2-bromobutyl 2-hydroxy-2-methylbutanoate
CID 164663861
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
1-(2-methoxybutan-2-yloxy)butan-2-amine
CID 137419185

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid?
The IUPAC name of 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid (CID 86727916) is 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid is CCC(N)COC(=O)C(C)(CC)C(=O)O.
What is the InChIKey of 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid?
The InChIKey is GELISUBLCINYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7(11)6-15-9(14)10(3,5-2)8(12)13/h7H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid?
2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutoxycarbonyl)-2-methylbutanoic acid is sourced from PubChem (CID 86727916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).