3-amino-3-methyl-2-propan-2-ylbutanoic acid

C8H17NO2 — CID 45122188

IUPAC3-amino-3-methyl-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C(=O)O)C(C)(C)N
InChIInChI=1S/C8H17NO2/c1-5(2)6(7(10)11)8(3,4)9/h5-6H,9H2,1-4H3,(H,10,11)
InChIKeyBWHQGRUDVWIZFI-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds3

About 3-amino-3-methyl-2-propan-2-ylbutanoic acid

3-amino-3-methyl-2-propan-2-ylbutanoic acid (PubChem CID 45122188) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-amino-3-methyl-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name3-amino-3-methyl-2-propan-2-ylbutanoic acid
PubChem CID45122188
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-amino-3-methyl-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C(=O)O)C(C)(C)N
InChIInChI=1S/C8H17NO2/c1-5(2)6(7(10)11)8(3,4)9/h5-6H,9H2,1-4H3,(H,10,11)
InChIKeyBWHQGRUDVWIZFI-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-3-(2-aminopropan-2-yl)butanedioic acid
CID 166995124
3,3-dihydroxy-2-propan-2-ylbutanoic acid
CID 57172811
3,3-dimethyl-2-propan-2-ylpentanedioic acid
CID 134364123
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
(2R)-2-amino-3-tert-butylbutanedioic acid;methane
CID 87326653
3-cyclopropyl-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397442
(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
CID 91435919
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
2-amino-4-hydroxy-3,3-dimethylpentanoic acid
CID 11997558
4-amino-2,4-dimethylpentanoic acid
CID 20501045
(2S)-2-amino-3-tert-butyl-2-methylbutanedioic acid
CID 54112864
7,7,7-trifluoro-3-hydroxy-3-methyl-2-propan-2-ylheptanoic acid
CID 116536108

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-2-propan-2-ylbutanoic acid?
The IUPAC name of 3-amino-3-methyl-2-propan-2-ylbutanoic acid (CID 45122188) is 3-amino-3-methyl-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 3-amino-3-methyl-2-propan-2-ylbutanoic acid?
The canonical SMILES for 3-amino-3-methyl-2-propan-2-ylbutanoic acid is CC(C)C(C(=O)O)C(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-2-propan-2-ylbutanoic acid?
The InChIKey is BWHQGRUDVWIZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)6(7(10)11)8(3,4)9/h5-6H,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-3-methyl-2-propan-2-ylbutanoic acid?
3-amino-3-methyl-2-propan-2-ylbutanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 45122188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).