2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid

C12H27NO5 — CID 15940218

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.NC(CO)(CO)CO
InChIInChI=1S/C8H16O2.C4H11NO3/c1-3-5-7(6-4-2)8(9)10;5-4(1-6,2-7)3-8/h7H,3-6H2,1-2H3,(H,9,10);6-8H,1-3,5H2
InChIKeyBDSYJDPFFUWQLI-UHFFFAOYSA-N
MW265.35 g/mol
LogP-0.05
Rot. Bonds8

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid

2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid (PubChem CID 15940218) has the molecular formula C12H27NO5 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
PubChem CID15940218
Molecular FormulaC12H27NO5
Molecular Weight265.35 g/mol
Exact Mass265.19
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.NC(CO)(CO)CO
InChIInChI=1S/C8H16O2.C4H11NO3/c1-3-5-7(6-4-2)8(9)10;5-4(1-6,2-7)3-8/h7H,3-6H2,1-2H3,(H,9,10);6-8H,1-3,5H2
InChIKeyBDSYJDPFFUWQLI-UHFFFAOYSA-N
XLogP-0.05
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic 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

calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
formic acid;2-propylpentanoic acid
CID 87531584
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-amino-2-(hydroxymethyl)propane-1,3-diol;2,2-dichloroacetic acid
CID 134540684
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylhexadecanoic acid
CID 10040360
2-ethylpentanoic acid;2-hydroxyacetic acid
CID 87121623
2-propylheptadecanoic acid
CID 22251985

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid (CID 15940218) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid is CCCC(CCC)C(=O)O.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid?
The InChIKey is BDSYJDPFFUWQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C4H11NO3/c1-3-5-7(6-4-2)8(9)10;5-4(1-6,2-7)3-8/h7H,3-6H2,1-2H3,(H,9,10);6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of -0.05, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid is sourced from PubChem (CID 15940218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).