3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide

C10H21N3O3 — CID 106096401

IUPAC3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
SMILESCOC(CN)CC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(2,5-8(12)14)13-9(15)4-7(6-11)16-3/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyDGIOSORRGMVTNY-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.88
Rot. Bonds7

About 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide

3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide (PubChem CID 106096401) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
PubChem CID106096401
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
SMILESCOC(CN)CC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(2,5-8(12)14)13-9(15)4-7(6-11)16-3/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyDGIOSORRGMVTNY-UHFFFAOYSA-N
XLogP-0.88
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide 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

4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
3-[(4-amino-3-ethoxybutanoyl)amino]-3-methylbutanoic acid
CID 114227468
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylpentanamide
CID 106096608
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
CID 120589059
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylbutanamide
CID 104579509
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
3-methyl-3-[4-(propan-2-ylamino)butanoylamino]butanamide
CID 106096583

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide (CID 106096401) is 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide is COC(CN)CC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide?
The InChIKey is DGIOSORRGMVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,5-8(12)14)13-9(15)4-7(6-11)16-3/h7H,4-6,11H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide?
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106096401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).