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

C12H26N4O2 — CID 82962028

IUPAC(2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide
SMILESCNCCCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H26N4O2/c1-9(2)11(13)12(18)15-8-10(17)16(4)7-5-6-14-3/h9,11,14H,5-8,13H2,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyJMFNELSNNJGXCV-NSHDSACASA-N
MW258.37 g/mol
LogP-0.85
Rot. Bonds8

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

(2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide (PubChem CID 82962028) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide
PubChem CID82962028
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide
SMILESCNCCCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H26N4O2/c1-9(2)11(13)12(18)15-8-10(17)16(4)7-5-6-14-3/h9,11,14H,5-8,13H2,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyJMFNELSNNJGXCV-NSHDSACASA-N
XLogP-0.85
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
CID 82962492
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961659
(2S)-2-amino-N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 113475625
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 103188725
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-ethylamino]propanoic acid
CID 82962276
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298
(2S)-2-amino-3-methyl-N-[2-[methyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]butanamide
CID 82961613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide (CID 82962028) is (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide is CNCCCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide?
The InChIKey is JMFNELSNNJGXCV-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N4O2/c1-9(2)11(13)12(18)15-8-10(17)16(4)7-5-6-14-3/h9,11,14H,5-8,13H2,1-4H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide has a molecular weight of 258.37 g/mol, XLogP of -0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 82962028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).