ethyl (3S)-3-amino-6-hydroxyhexanoate

C8H17NO3 — CID 129027170

IUPACethyl (3S)-3-amino-6-hydroxyhexanoate
SMILESCCOC(=O)C[C@@H](N)CCCO
InChIInChI=1S/C8H17NO3/c1-2-12-8(11)6-7(9)4-3-5-10/h7,10H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyMADMHBMILWSNOE-ZETCQYMHSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds6

About ethyl (3S)-3-amino-6-hydroxyhexanoate

ethyl (3S)-3-amino-6-hydroxyhexanoate (PubChem CID 129027170) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl (3S)-3-amino-6-hydroxyhexanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-6-hydroxyhexanoate
PubChem CID129027170
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl (3S)-3-amino-6-hydroxyhexanoate
SMILESCCOC(=O)C[C@@H](N)CCCO
InChIInChI=1S/C8H17NO3/c1-2-12-8(11)6-7(9)4-3-5-10/h7,10H,2-6,9H2,1H3/t7-/m0/s1
InChIKeyMADMHBMILWSNOE-ZETCQYMHSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-7-methyloctanoate;hydrochloride
CID 155858971
ethyl (3R)-3,7-dihydroxyheptanoate
CID 11252487
ethyl 7-hydroxy-3-methylheptanoate
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ethyl (3S)-3-amino-7-methyloct-6-enoate
CID 129027136
methyl (3S)-3-aminotetradecanoate
CID 162514819
ethyl 3-butylnonanoate
CID 131636821
butyl 3-aminooctanoate
CID 87883876
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
dodecan-1-ol;ethyl 2-hydroxyacetate
CID 159384320
butan-1-ol;ethyl propanoate
CID 157384460
3-amino-12-hydroxydodecanoic acid
CID 146253643
ethyl octadecanoate;octadecan-1-ol
CID 167711547

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-6-hydroxyhexanoate?
The IUPAC name of ethyl (3S)-3-amino-6-hydroxyhexanoate (CID 129027170) is ethyl (3S)-3-amino-6-hydroxyhexanoate.
What is the SMILES notation for ethyl (3S)-3-amino-6-hydroxyhexanoate?
The canonical SMILES for ethyl (3S)-3-amino-6-hydroxyhexanoate is CCOC(=O)C[C@@H](N)CCCO.
What is the InChIKey of ethyl (3S)-3-amino-6-hydroxyhexanoate?
The InChIKey is MADMHBMILWSNOE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-12-8(11)6-7(9)4-3-5-10/h7,10H,2-6,9H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-6-hydroxyhexanoate?
ethyl (3S)-3-amino-6-hydroxyhexanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-6-hydroxyhexanoate is sourced from PubChem (CID 129027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).