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

C11H21NO4 — CID 82323660

IUPAC3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)C(=O)N(CCCO)CC(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)10(14)12(5-4-6-13)7-9(3)11(15)16/h8-9,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyYPHPZQOQAUQDKZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.57
Rot. Bonds7

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

3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323660) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID82323660
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)C(=O)N(CCCO)CC(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-8(2)10(14)12(5-4-6-13)7-9(3)11(15)16/h8-9,13H,4-7H2,1-3H3,(H,15,16)
InChIKeyYPHPZQOQAUQDKZ-UHFFFAOYSA-N
XLogP0.57
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[2-hydroxypropyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82330163
3-[2-ethylbutanoyl(pentyl)amino]-2-methylpropanoic acid
CID 82323896
3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323914
3-[cyanomethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82328543
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
CID 61040005
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82323422
bis(2-methylpropanoic acid);propane-1,3-diol
CID 174945729

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid (CID 82323660) is 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid is CC(C)C(=O)N(CCCO)CC(C)C(=O)O.
What is the InChIKey of 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is YPHPZQOQAUQDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)10(14)12(5-4-6-13)7-9(3)11(15)16/h8-9,13H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid?
3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).