ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate

C12H19NO4S — CID 54937741

IUPACethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCc1cccs1
InChIInChI=1S/C12H19NO4S/c1-2-17-12(15)7-13-6-10(14)8-16-9-11-4-3-5-18-11/h3-5,10,13-14H,2,6-9H2,1H3
InChIKeyQYGCOTFEIZGKBS-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.78
Rot. Bonds9

About ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate

ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate (PubChem CID 54937741) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
PubChem CID54937741
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCc1cccs1
InChIInChI=1S/C12H19NO4S/c1-2-17-12(15)7-13-6-10(14)8-16-9-11-4-3-5-18-11/h3-5,10,13-14H,2,6-9H2,1H3
InChIKeyQYGCOTFEIZGKBS-UHFFFAOYSA-N
XLogP0.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54903426

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate (CID 54937741) is ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate is CCOC(=O)CNCC(O)COCc1cccs1.
What is the InChIKey of ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate?
The InChIKey is QYGCOTFEIZGKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-2-17-12(15)7-13-6-10(14)8-16-9-11-4-3-5-18-11/h3-5,10,13-14H,2,6-9H2,1H3.
What are the key properties of ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate?
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate has a molecular weight of 273.35 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate is sourced from PubChem (CID 54937741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).