2-(tert-butylamino)-4-hydroxybutanoic acid

C8H17NO3 — CID 83695715

IUPAC2-(tert-butylamino)-4-hydroxybutanoic acid
SMILESCC(C)(C)NC(CCO)C(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)9-6(4-5-10)7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyGDZHOJMTLYLIKU-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.21
Rot. Bonds4

About 2-(tert-butylamino)-4-hydroxybutanoic acid

2-(tert-butylamino)-4-hydroxybutanoic acid (PubChem CID 83695715) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-4-hydroxybutanoic acid
PubChem CID83695715
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(tert-butylamino)-4-hydroxybutanoic acid
SMILESCC(C)(C)NC(CCO)C(=O)O
InChIInChI=1S/C8H17NO3/c1-8(2,3)9-6(4-5-10)7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyGDZHOJMTLYLIKU-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]amino]-4-hydroxybutanoic acid
CID 118624501
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
CID 154614545
2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103267787
(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid
CID 167342932
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
2-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 87355340
(2S)-2-hydrazinyl-4-hydroxybutanoic acid
CID 150765964
(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330722
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid
CID 83038793
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 62835355

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-hydroxybutanoic acid?
The IUPAC name of 2-(tert-butylamino)-4-hydroxybutanoic acid (CID 83695715) is 2-(tert-butylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for 2-(tert-butylamino)-4-hydroxybutanoic acid?
The canonical SMILES for 2-(tert-butylamino)-4-hydroxybutanoic acid is CC(C)(C)NC(CCO)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-4-hydroxybutanoic acid?
The InChIKey is GDZHOJMTLYLIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)9-6(4-5-10)7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(tert-butylamino)-4-hydroxybutanoic acid?
2-(tert-butylamino)-4-hydroxybutanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 83695715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).