(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide

C9H20N2O — CID 61154665

IUPAC(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
SMILESCCN(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-6-11(5)8(12)7(10)9(2,3)4/h7H,6,10H2,1-5H3/t7-/m1/s1
InChIKeyKWVGQOFWUWQQCV-SSDOTTSWSA-N
MW172.27 g/mol
LogP0.84
Rot. Bonds2

About (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide

(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide (PubChem CID 61154665) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
PubChem CID61154665
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
SMILESCCN(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-6-11(5)8(12)7(10)9(2,3)4/h7H,6,10H2,1-5H3/t7-/m1/s1
InChIKeyKWVGQOFWUWQQCV-SSDOTTSWSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
CID 143023750
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
(E)-4-[(2-amino-3,3-dimethylbutanoyl)-methylamino]-2-methylbut-2-enoic acid;propane
CID 142813797
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
(2S)-2-amino-N-carbamoyl-N,3,3-trimethylbutanamide
CID 87212961
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 61156136

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide (CID 61154665) is (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide is CCN(C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide?
The InChIKey is KWVGQOFWUWQQCV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-11(5)8(12)7(10)9(2,3)4/h7H,6,10H2,1-5H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide?
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide is sourced from PubChem (CID 61154665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).