2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid

C11H21NO4 — CID 551765

IUPAC2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid
SMILESCCCC(NC1COCCC1(C)O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-4-8(10(13)14)12-9-7-16-6-5-11(9,2)15/h8-9,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyRNPPMBSDFRCOPX-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.37
Rot. Bonds5

About 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid

2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid (PubChem CID 551765) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid
PubChem CID551765
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid
SMILESCCCC(NC1COCCC1(C)O)C(=O)O
InChIInChI=1S/C11H21NO4/c1-3-4-8(10(13)14)12-9-7-16-6-5-11(9,2)15/h8-9,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyRNPPMBSDFRCOPX-UHFFFAOYSA-N
XLogP0.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid (CID 551765) is 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid is CCCC(NC1COCCC1(C)O)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid?
The InChIKey is RNPPMBSDFRCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-4-8(10(13)14)12-9-7-16-6-5-11(9,2)15/h8-9,12,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid?
2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methyloxan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 551765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).