(2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid

C8H17NO3 — CID 54191042

IUPAC(2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-5(10)6(7(11)12)9-8(2,3)4/h5-6,9-10H,1-4H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyPINLUAVTZLNOBX-RITPCOANSA-N
MW175.23 g/mol
LogP0.21
Rot. Bonds3

About (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid

(2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid (PubChem CID 54191042) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid
PubChem CID54191042
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-5(10)6(7(11)12)9-8(2,3)4/h5-6,9-10H,1-4H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyPINLUAVTZLNOBX-RITPCOANSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid (CID 54191042) is (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(C)(C)C)C(=O)O.
What is the InChIKey of (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid?
The InChIKey is PINLUAVTZLNOBX-RITPCOANSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(10)6(7(11)12)9-8(2,3)4/h5-6,9-10H,1-4H3,(H,11,12)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid?
(2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(tert-butylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 54191042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).