(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide

C11H24N2O — CID 58594164

IUPAC(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCCN(C(=O)[C@@H](N)C(C)(C)C)C(C)C
InChIInChI=1S/C11H24N2O/c1-7-13(8(2)3)10(14)9(12)11(4,5)6/h8-9H,7,12H2,1-6H3/t9-/m1/s1
InChIKeyHKTVIPSGLNJQDU-SECBINFHSA-N
MW200.33 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide

(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide (PubChem CID 58594164) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide
PubChem CID58594164
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCCN(C(=O)[C@@H](N)C(C)(C)C)C(C)C
InChIInChI=1S/C11H24N2O/c1-7-13(8(2)3)10(14)9(12)11(4,5)6/h8-9H,7,12H2,1-6H3/t9-/m1/s1
InChIKeyHKTVIPSGLNJQDU-SECBINFHSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide (CID 58594164) is (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide is CCN(C(=O)[C@@H](N)C(C)(C)C)C(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is HKTVIPSGLNJQDU-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N2O/c1-7-13(8(2)3)10(14)9(12)11(4,5)6/h8-9H,7,12H2,1-6H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide?
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.62, 3 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-3,3-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 58594164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).