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

C12H23NO5 — CID 54937670

IUPACethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCC1CCCO1
InChIInChI=1S/C12H23NO5/c1-2-17-12(15)7-13-6-10(14)8-16-9-11-4-3-5-18-11/h10-11,13-14H,2-9H2,1H3
InChIKeyJKJAFIZHNICKHU-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.30
Rot. Bonds9

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

ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate (PubChem CID 54937670) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
PubChem CID54937670
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCC1CCCO1
InChIInChI=1S/C12H23NO5/c1-2-17-12(15)7-13-6-10(14)8-16-9-11-4-3-5-18-11/h10-11,13-14H,2-9H2,1H3
InChIKeyJKJAFIZHNICKHU-UHFFFAOYSA-N
XLogP-0.30
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
3-[2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]ethyl]-1,1-dimethylurea
CID 83121091
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771
ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
CID 56777653
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 63897813

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate (CID 54937670) is ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate is CCOC(=O)CNCC(O)COCC1CCCO1.
What is the InChIKey of ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate?
The InChIKey is JKJAFIZHNICKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-2-17-12(15)7-13-6-10(14)8-16-9-11-4-3-5-18-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate?
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate has a molecular weight of 261.32 g/mol, XLogP of -0.30, 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-(oxolan-2-ylmethoxy)propyl]amino]acetate is sourced from PubChem (CID 54937670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).