2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid

C10H19NO5 — CID 106348504

IUPAC2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)C(CCO)NC(=O)COCC(=O)O
InChIInChI=1S/C10H19NO5/c1-7(2)8(3-4-12)11-9(13)5-16-6-10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyZOJWPNJZMYDYBQ-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.39
Rot. Bonds8

About 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 106348504) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID106348504
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)C(CCO)NC(=O)COCC(=O)O
InChIInChI=1S/C10H19NO5/c1-7(2)8(3-4-12)11-9(13)5-16-6-10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyZOJWPNJZMYDYBQ-UHFFFAOYSA-N
XLogP-0.39
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 79254836
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
2-ethoxy-N-(4-hydroxybutan-2-yl)acetamide
CID 81050051
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 79255861
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid (CID 106348504) is 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid is CC(C)C(CCO)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is ZOJWPNJZMYDYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(2)8(3-4-12)11-9(13)5-16-6-10(14)15/h7-8,12H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 233.26 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 106348504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).