(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

C11H23N3O2 — CID 61156283

IUPAC(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-6-14(7-8(15)13-5)10(16)9(12)11(2,3)4/h9H,6-7,12H2,1-5H3,(H,13,15)/t9-/m1/s1
InChIKeyXIKNRSHJFBOQFO-SECBINFHSA-N
MW229.32 g/mol
LogP-0.05
Rot. Bonds4

About (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 61156283) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID61156283
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-6-14(7-8(15)13-5)10(16)9(12)11(2,3)4/h9H,6-7,12H2,1-5H3,(H,13,15)/t9-/m1/s1
InChIKeyXIKNRSHJFBOQFO-SECBINFHSA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 61156136
3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 113496977
(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 94170765
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
N-ethyl-2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 61450123
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821374
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 61156283) is (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is CCN(CC(=O)NC)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is XIKNRSHJFBOQFO-SECBINFHSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-14(7-8(15)13-5)10(16)9(12)11(2,3)4/h9H,6-7,12H2,1-5H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 61156283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).