2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid

C10H21NO3 — CID 114494841

IUPAC2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(C)(O)CC
InChIInChI=1S/C10H21NO3/c1-4-6-11(7-9(12)13)8-10(3,14)5-2/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyFXZNTXKZKOPRGY-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.94
Rot. Bonds7

About 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid

2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid (PubChem CID 114494841) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
PubChem CID114494841
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(C)(O)CC
InChIInChI=1S/C10H21NO3/c1-4-6-11(7-9(12)13)8-10(3,14)5-2/h14H,4-8H2,1-3H3,(H,12,13)
InChIKeyFXZNTXKZKOPRGY-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
CID 114495036
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
CID 107425241
2-[carboxymethyl-(2-hydroxy-2-methylpropyl)amino]acetic acid
CID 63646957
1-(dipropylamino)-2-methylpentan-2-ol
CID 106291211
2-[propyl(undecyl)amino]acetic acid
CID 146831092
1-amino-3-(dipropylamino)-2-methylpropan-2-ol
CID 64819638
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[2-methylidenebutyl(propyl)amino]acetic acid
CID 66046219
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid (CID 114494841) is 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid is CCCN(CC(=O)O)CC(C)(O)CC.
What is the InChIKey of 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid?
The InChIKey is FXZNTXKZKOPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-6-11(7-9(12)13)8-10(3,14)5-2/h14H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid?
2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid has a molecular weight of 203.28 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylbutyl)-propylamino]acetic acid is sourced from PubChem (CID 114494841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).