(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide

C11H23N3O2 — CID 61157628

IUPAC(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)NC)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-6-14(7-9(15)13-4)11(16)10(12)8(2)3/h8,10H,5-7,12H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyHYSDXGROOKHVNO-JTQLQIEISA-N
MW229.32 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide

(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide (PubChem CID 61157628) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
PubChem CID61157628
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
SMILESCCCN(CC(=O)NC)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-6-14(7-9(15)13-4)11(16)10(12)8(2)3/h8,10H,5-7,12H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyHYSDXGROOKHVNO-JTQLQIEISA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 62473775
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62848178
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 103733151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide (CID 61157628) is (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide is CCCN(CC(=O)NC)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
The InChIKey is HYSDXGROOKHVNO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-6-14(7-9(15)13-4)11(16)10(12)8(2)3/h8,10H,5-7,12H2,1-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide?
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide has a molecular weight of 229.32 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide is sourced from PubChem (CID 61157628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).