ethyl 2-(6-hydroxyhexan-2-ylamino)acetate

C10H21NO3 — CID 22677733

IUPACethyl 2-(6-hydroxyhexan-2-ylamino)acetate
SMILESCCOC(=O)CNC(C)CCCCO
InChIInChI=1S/C10H21NO3/c1-3-14-10(13)8-11-9(2)6-4-5-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyLKHDXBPNNGAGHU-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds8

About ethyl 2-(6-hydroxyhexan-2-ylamino)acetate

ethyl 2-(6-hydroxyhexan-2-ylamino)acetate (PubChem CID 22677733) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 2-(6-hydroxyhexan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(6-hydroxyhexan-2-ylamino)acetate
PubChem CID22677733
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 2-(6-hydroxyhexan-2-ylamino)acetate
SMILESCCOC(=O)CNC(C)CCCCO
InChIInChI=1S/C10H21NO3/c1-3-14-10(13)8-11-9(2)6-4-5-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyLKHDXBPNNGAGHU-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-hydroxy-3-methylheptanoate
CID 15832984
butyl 2-(hexan-2-ylamino)acetate
CID 62198750
ethyl 2-[1-(dimethylamino)propan-2-ylamino]acetate
CID 82938567
ethyl (3R)-3,7-dihydroxyheptanoate
CID 11252487
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
ethyl 2-[4-(4-hydroxyphenyl)butan-2-ylamino]acetate
CID 60811877
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate
CID 61247456
ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate
CID 87760013
dodeca-5,7-diyne-1,12-diol;bis(ethyl 2-(ethoxycarbonylamino)acetate)
CID 88713618
2-ethoxycarbonyl-6-hydroxyhexanoic acid
CID 54281479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydroxyhexan-2-ylamino)acetate?
The IUPAC name of ethyl 2-(6-hydroxyhexan-2-ylamino)acetate (CID 22677733) is ethyl 2-(6-hydroxyhexan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(6-hydroxyhexan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(6-hydroxyhexan-2-ylamino)acetate is CCOC(=O)CNC(C)CCCCO.
What is the InChIKey of ethyl 2-(6-hydroxyhexan-2-ylamino)acetate?
The InChIKey is LKHDXBPNNGAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-14-10(13)8-11-9(2)6-4-5-7-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(6-hydroxyhexan-2-ylamino)acetate?
ethyl 2-(6-hydroxyhexan-2-ylamino)acetate has a molecular weight of 203.28 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydroxyhexan-2-ylamino)acetate is sourced from PubChem (CID 22677733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).