2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid

C9H17NO2 — CID 83695508

IUPAC2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(N)(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO2/c1-8(2,3)9(10,7(11)12)6-4-5-6/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyQMYGYAJXMDCIQG-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid

2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid (PubChem CID 83695508) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid
PubChem CID83695508
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(N)(C(=O)O)C1CC1
InChIInChI=1S/C9H17NO2/c1-8(2,3)9(10,7(11)12)6-4-5-6/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyQMYGYAJXMDCIQG-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
CID 64774277
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425
2-cyclopropyl-2,3,3-trimethylbutanoic acid
CID 90080319
(2R)-2-amino-2-(4-aminocyclohexyl)propanoic acid
CID 67723227
2-amino-2-(4-tert-butylcyclohexyl)propanoic acid;hydrochloride
CID 70289577
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
2-amino-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 63921124
2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819366
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
CID 126974927

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid (CID 83695508) is 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid is CC(C)(C)C(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid?
The InChIKey is QMYGYAJXMDCIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,3)9(10,7(11)12)6-4-5-6/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid?
2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83695508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).