ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane

C15H34N2O3 — CID 143023750

IUPACethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
SMILESCC.CCC.COC(=O)CN(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H20N2O3.C3H8.C2H6/c1-10(2,3)8(11)9(14)12(4)6-7(13)15-5;1-3-2;1-2/h8H,6,11H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyOFGATWXYVUXTOR-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.43
Rot. Bonds3

About ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane

ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane (PubChem CID 143023750) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane.

Molecular Properties

Compound Nameethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
PubChem CID143023750
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC Nameethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
SMILESCC.CCC.COC(=O)CN(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H20N2O3.C3H8.C2H6/c1-10(2,3)8(11)9(14)12(4)6-7(13)15-5;1-3-2;1-2/h8H,6,11H2,1-5H3;3H2,1-2H3;1-2H3
InChIKeyOFGATWXYVUXTOR-UHFFFAOYSA-N
XLogP2.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane 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

(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
CID 115426447
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
(E)-4-[(2-amino-3,3-dimethylbutanoyl)-methylamino]-2-methylbut-2-enoic acid;propane
CID 142813797

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane?
The IUPAC name of ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane (CID 143023750) is ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane.
What is the SMILES notation for ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane?
The canonical SMILES for ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane is CC.CCC.COC(=O)CN(C)C(=O)C(N)C(C)(C)C.
What is the InChIKey of ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane?
The InChIKey is OFGATWXYVUXTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.C3H8.C2H6/c1-10(2,3)8(11)9(14)12(4)6-7(13)15-5;1-3-2;1-2/h8H,6,11H2,1-5H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane?
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane has a molecular weight of 290.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane is sourced from PubChem (CID 143023750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).