3-(tert-butylamino)-2-hydroxypropanoic acid

C7H15NO3 — CID 83694818

IUPAC3-(tert-butylamino)-2-hydroxypropanoic acid
SMILESCC(C)(C)NCC(O)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(2,3)8-4-5(9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)
InChIKeyKDBMEVYPXSYYDA-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds3

About 3-(tert-butylamino)-2-hydroxypropanoic acid

3-(tert-butylamino)-2-hydroxypropanoic acid (PubChem CID 83694818) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(tert-butylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(tert-butylamino)-2-hydroxypropanoic acid
PubChem CID83694818
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-(tert-butylamino)-2-hydroxypropanoic acid
SMILESCC(C)(C)NCC(O)C(=O)O
InChIInChI=1S/C7H15NO3/c1-7(2,3)8-4-5(9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)
InChIKeyKDBMEVYPXSYYDA-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbothioylamino]propanoic acid
CID 143974354
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062
1-(tert-butylamino)propan-2-ol;formic acid
CID 158906125
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;2,3-dihydroxybutanedioic acid
CID 175330304
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144
(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 107841057
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
CID 110181826
3-(4-cyanoanilino)-2-hydroxypropanoic acid
CID 83701637

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(tert-butylamino)-2-hydroxypropanoic acid (CID 83694818) is 3-(tert-butylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(tert-butylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(tert-butylamino)-2-hydroxypropanoic acid is CC(C)(C)NCC(O)C(=O)O.
What is the InChIKey of 3-(tert-butylamino)-2-hydroxypropanoic acid?
The InChIKey is KDBMEVYPXSYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)8-4-5(9)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-(tert-butylamino)-2-hydroxypropanoic acid?
3-(tert-butylamino)-2-hydroxypropanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 83694818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).