(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide

C8H18N2O2 — CID 64974712

IUPAC(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
SMILESCCONC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-12-10-7(11)6(9)8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyRSXGXUPYEGQQAL-ZCFIWIBFSA-N
MW174.24 g/mol
LogP0.43
Rot. Bonds3

About (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide

(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide (PubChem CID 64974712) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
PubChem CID64974712
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide
SMILESCCONC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-12-10-7(11)6(9)8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyRSXGXUPYEGQQAL-ZCFIWIBFSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-methylpropanamide
CID 60717901
2-amino-N-ethoxypentanamide
CID 64974803
(2S)-2-amino-N-hydroxy-3,3-dimethylbutanamide
CID 63992597
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
3-amino-4-(ethoxyamino)-4-oxobutanoic acid
CID 64974788
N-ethoxy-2,2-dimethylpropanamide
CID 60717899
2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
N-ethoxy-2-propylpentanamide
CID 115532275
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
(2S)-2-amino-N',3,3-trimethylbutanehydrazide
CID 89289815
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide (CID 64974712) is (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide is CCONC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide?
The InChIKey is RSXGXUPYEGQQAL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-12-10-7(11)6(9)8(2,3)4/h6H,5,9H2,1-4H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide?
(2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide has a molecular weight of 174.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethoxy-3,3-dimethylbutanamide is sourced from PubChem (CID 64974712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).