2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid

C11H24N2O3 — CID 103245081

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(CN(C)C)C(C)C)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-8(2)9(6-13(3)4)12-10(7-16-5)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyRDBICTXQLXOQOM-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.26
Rot. Bonds8

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid (PubChem CID 103245081) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
PubChem CID103245081
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(CN(C)C)C(C)C)C(=O)O
InChIInChI=1S/C11H24N2O3/c1-8(2)9(6-13(3)4)12-10(7-16-5)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15)
InChIKeyRDBICTXQLXOQOM-UHFFFAOYSA-N
XLogP0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid 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

3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 54956919
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 54958686
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
2-N-(3-methoxybutan-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115711323
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
(2S)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid (CID 103245081) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid is COCC(NC(CN(C)C)C(C)C)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid?
The InChIKey is RDBICTXQLXOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-8(2)9(6-13(3)4)12-10(7-16-5)11(14)15/h8-10,12H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103245081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).