3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid

C10H20N2O3 — CID 107324778

IUPAC3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(O)CCN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-9(2,15)3-5-12-6-4-10(11,7-12)8(13)14/h15H,3-7,11H2,1-2H3,(H,13,14)
InChIKeySXKIOFPLTBMURR-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.36
Rot. Bonds4

About 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid

3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324778) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
PubChem CID107324778
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(O)CCN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-9(2,15)3-5-12-6-4-10(11,7-12)8(13)14/h15H,3-7,11H2,1-2H3,(H,13,14)
InChIKeySXKIOFPLTBMURR-UHFFFAOYSA-N
XLogP-0.36
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324268
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
3-amino-1-(3,3-diethoxypropyl)pyrrolidine-3-carboxylic acid
CID 107324313
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 107324385
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324984

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid (CID 107324778) is 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid is CC(C)(O)CCN1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SXKIOFPLTBMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,15)3-5-12-6-4-10(11,7-12)8(13)14/h15H,3-7,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).