(2S)-2-amino-N-tert-butylbutanamide

C8H18N2O — CID 79025313

IUPAC(2S)-2-amino-N-tert-butylbutanamide
SMILESCC[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O/c1-5-6(9)7(11)10-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyUZURASSTNINCOO-LURJTMIESA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds2

About (2S)-2-amino-N-tert-butylbutanamide

(2S)-2-amino-N-tert-butylbutanamide (PubChem CID 79025313) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-amino-N-tert-butylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-tert-butylbutanamide
PubChem CID79025313
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-tert-butylbutanamide
SMILESCC[C@H](N)C(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O/c1-5-6(9)7(11)10-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKeyUZURASSTNINCOO-LURJTMIESA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide
CID 79023372
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
(2R)-2-amino-N-methylbutanamide
CID 14888796
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
CID 81194284
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
CID 119325785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-tert-butylbutanamide?
The IUPAC name of (2S)-2-amino-N-tert-butylbutanamide (CID 79025313) is (2S)-2-amino-N-tert-butylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-tert-butylbutanamide?
The canonical SMILES for (2S)-2-amino-N-tert-butylbutanamide is CC[C@H](N)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-tert-butylbutanamide?
The InChIKey is UZURASSTNINCOO-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6(9)7(11)10-8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-tert-butylbutanamide?
(2S)-2-amino-N-tert-butylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-tert-butylbutanamide is sourced from PubChem (CID 79025313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).