ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate

C7H15NO3 — CID 131230217

IUPACethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
SMILESCCOC(=O)[C@](C)(N)[C@@H](C)O
InChIInChI=1S/C7H15NO3/c1-4-11-6(10)7(3,8)5(2)9/h5,9H,4,8H2,1-3H3/t5-,7-/m1/s1
InChIKeyJYAJUXCKALYJAK-IYSWYEEDSA-N
MW161.20 g/mol
LogP-0.35
Rot. Bonds3

About ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate

ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate (PubChem CID 131230217) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
PubChem CID131230217
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
SMILESCCOC(=O)[C@](C)(N)[C@@H](C)O
InChIInChI=1S/C7H15NO3/c1-4-11-6(10)7(3,8)5(2)9/h5,9H,4,8H2,1-3H3/t5-,7-/m1/s1
InChIKeyJYAJUXCKALYJAK-IYSWYEEDSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753
ethyl 3-hydroxy-2,2-dimethoxybutanoate
CID 88708132
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253
diethyl 2,2,3-trimethylpentanedioate
CID 13244610

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate?
The IUPAC name of ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate (CID 131230217) is ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate?
The canonical SMILES for ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate is CCOC(=O)[C@](C)(N)[C@@H](C)O.
What is the InChIKey of ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate?
The InChIKey is JYAJUXCKALYJAK-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-6(10)7(3,8)5(2)9/h5,9H,4,8H2,1-3H3/t5-,7-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate?
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate has a molecular weight of 161.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 131230217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).