(2S)-2-amino-3-methyl-N,N-dipropylbutanamide

C11H24N2O — CID 22690786

IUPAC(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H24N2O/c1-5-7-13(8-6-2)11(14)10(12)9(3)4/h9-10H,5-8,12H2,1-4H3/t10-/m0/s1
InChIKeyIHZRVAGMJMTQML-JTQLQIEISA-N
MW200.33 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-amino-3-methyl-N,N-dipropylbutanamide

(2S)-2-amino-3-methyl-N,N-dipropylbutanamide (PubChem CID 22690786) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N,N-dipropylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
PubChem CID22690786
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H24N2O/c1-5-7-13(8-6-2)11(14)10(12)9(3)4/h9-10H,5-8,12H2,1-4H3/t10-/m0/s1
InChIKeyIHZRVAGMJMTQML-JTQLQIEISA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
N-(2-bromoethyl)-2-methyl-N-propylpropanamide
CID 80660221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N,N-dipropylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N,N-dipropylbutanamide (CID 22690786) is (2S)-2-amino-3-methyl-N,N-dipropylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N,N-dipropylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N,N-dipropylbutanamide is CCCN(CCC)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N,N-dipropylbutanamide?
The InChIKey is IHZRVAGMJMTQML-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-7-13(8-6-2)11(14)10(12)9(3)4/h9-10H,5-8,12H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N,N-dipropylbutanamide?
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N,N-dipropylbutanamide is sourced from PubChem (CID 22690786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).