2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid

C9H17NO5 — CID 79254836

IUPAC2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)[C@@H](CO)NC(=O)COCC(=O)O
InChIInChI=1S/C9H17NO5/c1-6(2)7(3-11)10-8(12)4-15-5-9(13)14/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t7-/m1/s1
InChIKeyFCHQWRLCZDJMML-SSDOTTSWSA-N
MW219.24 g/mol
LogP-0.78
Rot. Bonds7

About 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid

2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid (PubChem CID 79254836) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
PubChem CID79254836
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)[C@@H](CO)NC(=O)COCC(=O)O
InChIInChI=1S/C9H17NO5/c1-6(2)7(3-11)10-8(12)4-15-5-9(13)14/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t7-/m1/s1
InChIKeyFCHQWRLCZDJMML-SSDOTTSWSA-N
XLogP-0.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 106348504
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-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
CID 102041361
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
2-[2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-oxoethoxy]acetic acid
CID 113408335
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid (CID 79254836) is 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid is CC(C)[C@@H](CO)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is FCHQWRLCZDJMML-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO5/c1-6(2)7(3-11)10-8(12)4-15-5-9(13)14/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t7-/m1/s1.
What are the key properties of 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 219.24 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79254836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).