ethyl 2-amino-3-hydroxy-4-methylheptanoate

C10H21NO3 — CID 66206751

IUPACethyl 2-amino-3-hydroxy-4-methylheptanoate
SMILESCCCC(C)C(O)C(N)C(=O)OCC
InChIInChI=1S/C10H21NO3/c1-4-6-7(3)9(12)8(11)10(13)14-5-2/h7-9,12H,4-6,11H2,1-3H3
InChIKeyPTZYEHDRGLFHGF-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.67
Rot. Bonds6

About ethyl 2-amino-3-hydroxy-4-methylheptanoate

ethyl 2-amino-3-hydroxy-4-methylheptanoate (PubChem CID 66206751) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 2-amino-3-hydroxy-4-methylheptanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-hydroxy-4-methylheptanoate
PubChem CID66206751
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 2-amino-3-hydroxy-4-methylheptanoate
SMILESCCCC(C)C(O)C(N)C(=O)OCC
InChIInChI=1S/C10H21NO3/c1-4-6-7(3)9(12)8(11)10(13)14-5-2/h7-9,12H,4-6,11H2,1-3H3
InChIKeyPTZYEHDRGLFHGF-UHFFFAOYSA-N
XLogP0.67
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
CID 116502135
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
ethyl 2-amino-3-ethoxybutanoate
CID 163483403
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl acetate;tris(2-methylpentane)
CID 173095703
ethyl 2-amino-4-fluoro-3-hydroxybutanoate
CID 71346341
2-amino-4-methylheptane-1,3-diol
CID 66204531
ethyl (2S,3S)-2-amino-3-hydroxy-15-methylhexadecanoate
CID 124639855
ethyl 3,5-dihydroxy-2-propylpentanoate
CID 89428861
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-hydroxy-4-methylheptanoate?
The IUPAC name of ethyl 2-amino-3-hydroxy-4-methylheptanoate (CID 66206751) is ethyl 2-amino-3-hydroxy-4-methylheptanoate.
What is the SMILES notation for ethyl 2-amino-3-hydroxy-4-methylheptanoate?
The canonical SMILES for ethyl 2-amino-3-hydroxy-4-methylheptanoate is CCCC(C)C(O)C(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-3-hydroxy-4-methylheptanoate?
The InChIKey is PTZYEHDRGLFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-6-7(3)9(12)8(11)10(13)14-5-2/h7-9,12H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-amino-3-hydroxy-4-methylheptanoate?
ethyl 2-amino-3-hydroxy-4-methylheptanoate has a molecular weight of 203.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-hydroxy-4-methylheptanoate is sourced from PubChem (CID 66206751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).