ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate

C9H19NO4 — CID 116502135

IUPACethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
SMILESCCOC(=O)C(N)C(O)C(C)COC
InChIInChI=1S/C9H19NO4/c1-4-14-9(12)7(10)8(11)6(2)5-13-3/h6-8,11H,4-5,10H2,1-3H3
InChIKeyIYOACMVLNMFAEZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.48
Rot. Bonds6

About ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate

ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate (PubChem CID 116502135) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
PubChem CID116502135
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nameethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
SMILESCCOC(=O)C(N)C(O)C(C)COC
InChIInChI=1S/C9H19NO4/c1-4-14-9(12)7(10)8(11)6(2)5-13-3/h6-8,11H,4-5,10H2,1-3H3
InChIKeyIYOACMVLNMFAEZ-UHFFFAOYSA-N
XLogP-0.48
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-hydroxy-4-methylheptanoate
CID 66206751
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl 2-amino-4-fluoro-3-hydroxybutanoate
CID 71346341
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
CID 116503368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate?
The IUPAC name of ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate (CID 116502135) is ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate?
The canonical SMILES for ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate is CCOC(=O)C(N)C(O)C(C)COC.
What is the InChIKey of ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate?
The InChIKey is IYOACMVLNMFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-4-14-9(12)7(10)8(11)6(2)5-13-3/h6-8,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate?
ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate has a molecular weight of 205.25 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate is sourced from PubChem (CID 116502135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).