N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid

C15H35NO7 — CID 173066530

IUPACN,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid
SMILESCC(C)N(C)C.CC(CO)(CO)C(=O)O.CCC(=O)O.COC
InChIInChI=1S/C5H13N.C5H10O4.C3H6O2.C2H6O/c1-5(2)6(3)4;1-5(2-6,3-7)4(8)9;1-2-3(4)5;1-3-2/h5H,1-4H3;6-7H,2-3H2,1H3,(H,8,9);2H2,1H3,(H,4,5);1-2H3
InChIKeySKIUJZAFNYXROQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP0.76
Rot. Bonds5

About N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid

N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid (PubChem CID 173066530) has the molecular formula C15H35NO7 and a molecular weight of 341.45 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid
PubChem CID173066530
Molecular FormulaC15H35NO7
Molecular Weight341.45 g/mol
Exact Mass341.24
IUPAC NameN,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid
SMILESCC(C)N(C)C.CC(CO)(CO)C(=O)O.CCC(=O)O.COC
InChIInChI=1S/C5H13N.C5H10O4.C3H6O2.C2H6O/c1-5(2)6(3)4;1-5(2-6,3-7)4(8)9;1-2-3(4)5;1-3-2/h5H,1-4H3;6-7H,2-3H2,1H3,(H,8,9);2H2,1H3,(H,4,5);1-2H3
InChIKeySKIUJZAFNYXROQ-UHFFFAOYSA-N
XLogP0.76
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid?
The IUPAC name of N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid (CID 173066530) is N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid.
What is the SMILES notation for N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid?
The canonical SMILES for N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid is CC(C)N(C)C.CC(CO)(CO)C(=O)O.CCC(=O)O.COC.
What is the InChIKey of N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid?
The InChIKey is SKIUJZAFNYXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C5H10O4.C3H6O2.C2H6O/c1-5(2)6(3)4;1-5(2-6,3-7)4(8)9;1-2-3(4)5;1-3-2/h5H,1-4H3;6-7H,2-3H2,1H3,(H,8,9);2H2,1H3,(H,4,5);1-2H3.
What are the key properties of N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid?
N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid has a molecular weight of 341.45 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid is sourced from PubChem (CID 173066530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).