ethane;ethyl 3-amino-2-hydroxyhexanoate

C10H23NO3 — CID 143089421

IUPACethane;ethyl 3-amino-2-hydroxyhexanoate
SMILESCC.CCCC(N)C(O)C(=O)OCC
InChIInChI=1S/C8H17NO3.C2H6/c1-3-5-6(9)7(10)8(11)12-4-2;1-2/h6-7,10H,3-5,9H2,1-2H3;1-2H3
InChIKeyXZRARSAOUQWHQI-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.06
Rot. Bonds5

About ethane;ethyl 3-amino-2-hydroxyhexanoate

ethane;ethyl 3-amino-2-hydroxyhexanoate (PubChem CID 143089421) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;ethyl 3-amino-2-hydroxyhexanoate.

Molecular Properties

Compound Nameethane;ethyl 3-amino-2-hydroxyhexanoate
PubChem CID143089421
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Nameethane;ethyl 3-amino-2-hydroxyhexanoate
SMILESCC.CCCC(N)C(O)C(=O)OCC
InChIInChI=1S/C8H17NO3.C2H6/c1-3-5-6(9)7(10)8(11)12-4-2;1-2/h6-7,10H,3-5,9H2,1-2H3;1-2H3
InChIKeyXZRARSAOUQWHQI-UHFFFAOYSA-N
XLogP1.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;ethyl 3-amino-2-hydroxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-2-hydroxydecanoic acid
CID 57484230
Methyl 3-amino-2-hydroxypentanoate hydrochloride
CID 86775321
(2S,3S)-3-Amino-2-hydroxyhexanoic acid
CID 11205843
Lysine DL-lactate
CID 9881172
3-Amino-2-hydroxy octanoic acid
CID 54136503
(2S,3R)-3-Amino-2-hydroxyheptanoic acid
CID 10397100
Decanoic acid, 3-amino-2-hydroxy-, (2S,3R)-
CID 10899716
[(1S)-5-amino-1-carboxypentyl]azanium;2-hydroxypropanoate
CID 139776614
Methyl 3-amino-2-hydroxypentanoate
CID 55285399
Lysine lactate
CID 72941658
3-Amino-5,5-difluoro-2-hydroxyhexanoic acid
CID 87591233
Tert-butyl 3-amino-5-fluoro-2-hydroxypentanoate
CID 139944823

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-amino-2-hydroxyhexanoate?
The IUPAC name of ethane;ethyl 3-amino-2-hydroxyhexanoate (CID 143089421) is ethane;ethyl 3-amino-2-hydroxyhexanoate.
What is the SMILES notation for ethane;ethyl 3-amino-2-hydroxyhexanoate?
The canonical SMILES for ethane;ethyl 3-amino-2-hydroxyhexanoate is CC.CCCC(N)C(O)C(=O)OCC.
What is the InChIKey of ethane;ethyl 3-amino-2-hydroxyhexanoate?
The InChIKey is XZRARSAOUQWHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.C2H6/c1-3-5-6(9)7(10)8(11)12-4-2;1-2/h6-7,10H,3-5,9H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 3-amino-2-hydroxyhexanoate?
ethane;ethyl 3-amino-2-hydroxyhexanoate has a molecular weight of 205.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-amino-2-hydroxyhexanoate is sourced from PubChem (CID 143089421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).