butyl 3-amino-2-hydroxy-2-methylpropanoate

C8H17NO3 — CID 66172031

IUPACbutyl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCCCCOC(=O)C(C)(O)CN
InChIInChI=1S/C8H17NO3/c1-3-4-5-12-7(10)8(2,11)6-9/h11H,3-6,9H2,1-2H3
InChIKeyRIVANZNTKZBWLU-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds5

About butyl 3-amino-2-hydroxy-2-methylpropanoate

butyl 3-amino-2-hydroxy-2-methylpropanoate (PubChem CID 66172031) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is butyl 3-amino-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namebutyl 3-amino-2-hydroxy-2-methylpropanoate
PubChem CID66172031
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namebutyl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCCCCOC(=O)C(C)(O)CN
InChIInChI=1S/C8H17NO3/c1-3-4-5-12-7(10)8(2,11)6-9/h11H,3-6,9H2,1-2H3
InChIKeyRIVANZNTKZBWLU-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-hydroxy-2-methylhexanoate
CID 118322754
butyl 2-iodo-2-methylpropanoate
CID 87865989
butyl (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 11117391
butyl 2,2,3,3-tetramethylbutanoate;ethane
CID 144536204
1-O-butyl 3-O-nonyl 2,2-dimethylpropanedioate
CID 91699199
dibutyl 2,3-dibutyl-2,3-dihydroxybutanedioate
CID 89262436
pentyl 2-bromo-2-hydroxypropanoate
CID 175587933
butyl 2-hydroperoxy-2-methylpropanoate
CID 71381107
butyl 3,3-dihydroxybutanoate
CID 166790981
butyl 3-amino-2-carbamoyl-2-hydroxy-3-oxopropanoate
CID 175015726
dipentyl 2,2,3,3-tetramethylbutanedioate
CID 151610972
butyl 2,2,2-tris(sulfanyl)acetate
CID 118063051

Frequently Asked Questions

What is the IUPAC name of butyl 3-amino-2-hydroxy-2-methylpropanoate?
The IUPAC name of butyl 3-amino-2-hydroxy-2-methylpropanoate (CID 66172031) is butyl 3-amino-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for butyl 3-amino-2-hydroxy-2-methylpropanoate?
The canonical SMILES for butyl 3-amino-2-hydroxy-2-methylpropanoate is CCCCOC(=O)C(C)(O)CN.
What is the InChIKey of butyl 3-amino-2-hydroxy-2-methylpropanoate?
The InChIKey is RIVANZNTKZBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-4-5-12-7(10)8(2,11)6-9/h11H,3-6,9H2,1-2H3.
What are the key properties of butyl 3-amino-2-hydroxy-2-methylpropanoate?
butyl 3-amino-2-hydroxy-2-methylpropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-amino-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 66172031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).