3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid

C10H21NO4 — CID 82330163

IUPAC3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
SMILESCC(O)CN(CCCO)CC(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-8(10(14)15)6-11(4-3-5-12)7-9(2)13/h8-9,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyMIKGEZVTEKNMOJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.23
Rot. Bonds8

About 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid

3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid (PubChem CID 82330163) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
PubChem CID82330163
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
SMILESCC(O)CN(CCCO)CC(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-8(10(14)15)6-11(4-3-5-12)7-9(2)13/h8-9,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyMIKGEZVTEKNMOJ-UHFFFAOYSA-N
XLogP-0.23
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic 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-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[cyanomethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82328543
3-[2-acetamidoethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330169
3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323660
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811
3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
3-[2-carboxyethyl(3-carboxypropyl)amino]-2-methylpropanoic acid
CID 82330638

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid (CID 82330163) is 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid is CC(O)CN(CCCO)CC(C)C(=O)O.
What is the InChIKey of 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
The InChIKey is MIKGEZVTEKNMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(10(14)15)6-11(4-3-5-12)7-9(2)13/h8-9,12-13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid?
3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).