2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

C13H26N2O3 — CID 106617049

IUPAC2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCC(C)CN(CC1CCCN1)CC(C)(O)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(2)7-15(8-11-5-4-6-14-11)9-13(3,18)12(16)17/h10-11,14,18H,4-9H2,1-3H3,(H,16,17)
InChIKeyDFEXNINUCTUIHG-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.53
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (PubChem CID 106617049) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
PubChem CID106617049
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCC(C)CN(CC1CCCN1)CC(C)(O)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(2)7-15(8-11-5-4-6-14-11)9-13(3,18)12(16)17/h10-11,14,18H,4-9H2,1-3H3,(H,16,17)
InChIKeyDFEXNINUCTUIHG-UHFFFAOYSA-N
XLogP0.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
CID 106617477
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
CID 106617435
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616013
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106611015
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106617112
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106611236

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (CID 106617049) is 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is CC(C)CN(CC1CCCN1)CC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is DFEXNINUCTUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)7-15(8-11-5-4-6-14-11)9-13(3,18)12(16)17/h10-11,14,18H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 106617049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).