ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate

C8H17NO5 — CID 18320032

IUPACethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(CO)(CO)CO
InChIInChI=1S/C8H17NO5/c1-2-14-7(13)3-9-8(4-10,5-11)6-12/h9-12H,2-6H2,1H3
InChIKeyCLJJOVUVBIOBHE-UHFFFAOYSA-N
MW207.23 g/mol
LogP-2.15
Rot. Bonds7

About ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate

ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate (PubChem CID 18320032) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
PubChem CID18320032
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Nameethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
SMILESCCOC(=O)CNC(CO)(CO)CO
InChIInChI=1S/C8H17NO5/c1-2-14-7(13)3-9-8(4-10,5-11)6-12/h9-12H,2-6H2,1H3
InChIKeyCLJJOVUVBIOBHE-UHFFFAOYSA-N
XLogP-2.15
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 54443820
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-[[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]amino]acetate
CID 51674682
ethyl 4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-4-oxobutanoate
CID 104630271
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
CID 65043048
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
CID 82723991
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate (CID 18320032) is ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate is CCOC(=O)CNC(CO)(CO)CO.
What is the InChIKey of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The InChIKey is CLJJOVUVBIOBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5/c1-2-14-7(13)3-9-8(4-10,5-11)6-12/h9-12H,2-6H2,1H3.
What are the key properties of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate has a molecular weight of 207.23 g/mol, XLogP of -2.15, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate is sourced from PubChem (CID 18320032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).