2-(2-hydroxybutylamino)-2-methylpropanoic acid

C8H17NO3 — CID 65263487

IUPAC2-(2-hydroxybutylamino)-2-methylpropanoic acid
SMILESCCC(O)CNC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-4-6(10)5-9-8(2,3)7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyJXAJTKONOWMQHF-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.21
Rot. Bonds5

About 2-(2-hydroxybutylamino)-2-methylpropanoic acid

2-(2-hydroxybutylamino)-2-methylpropanoic acid (PubChem CID 65263487) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-hydroxybutylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxybutylamino)-2-methylpropanoic acid
PubChem CID65263487
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(2-hydroxybutylamino)-2-methylpropanoic acid
SMILESCCC(O)CNC(C)(C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-4-6(10)5-9-8(2,3)7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyJXAJTKONOWMQHF-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(3-methylpentan-3-ylamino)butan-2-ol
CID 103766620
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
2-(3-fluoropropylamino)-2-methylpropanoic acid
CID 81114836
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
3-hydroxypentanoic acid;methanol
CID 174973747
acetic acid;butane-1,2-diol
CID 71357816

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2-hydroxybutylamino)-2-methylpropanoic acid (CID 65263487) is 2-(2-hydroxybutylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-hydroxybutylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-hydroxybutylamino)-2-methylpropanoic acid is CCC(O)CNC(C)(C)C(=O)O.
What is the InChIKey of 2-(2-hydroxybutylamino)-2-methylpropanoic acid?
The InChIKey is JXAJTKONOWMQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-6(10)5-9-8(2,3)7(11)12/h6,9-10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-hydroxybutylamino)-2-methylpropanoic acid?
2-(2-hydroxybutylamino)-2-methylpropanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutylamino)-2-methylpropanoic acid is sourced from PubChem (CID 65263487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).