(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide

C8H18N2O2 — CID 164800238

IUPAC(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5(11)6(9)7(12)10-8(2,3)4/h5-6,11H,9H2,1-4H3,(H,10,12)/t5-,6+/m1/s1
InChIKeyUEUFTQWHLZMNMS-RITPCOANSA-N
MW174.24 g/mol
LogP-0.39
Rot. Bonds2

About (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide

(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide (PubChem CID 164800238) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
PubChem CID164800238
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
SMILESC[C@@H](O)[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5(11)6(9)7(12)10-8(2,3)4/h5-6,11H,9H2,1-4H3,(H,10,12)/t5-,6+/m1/s1
InChIKeyUEUFTQWHLZMNMS-RITPCOANSA-N
XLogP-0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
acetylene;2-amino-N,3-dihydroxybutanamide
CID 174483639
N-tert-butyl-2-fluoropropanamide
CID 167699160
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
CID 164772716
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
(2R)-2-amino-N-tert-butyl-2-cyclopropylacetamide
CID 135219031
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide (CID 164800238) is (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide is C[C@@H](O)[C@H](N)C(=O)NC(C)(C)C.
What is the InChIKey of (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide?
The InChIKey is UEUFTQWHLZMNMS-RITPCOANSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5(11)6(9)7(12)10-8(2,3)4/h5-6,11H,9H2,1-4H3,(H,10,12)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide?
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide is sourced from PubChem (CID 164800238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).