methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate

C11H19NO4 — CID 110731234

IUPACmethyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
SMILESCOC(=O)CCC(=O)NCCC1CCCO1
InChIInChI=1S/C11H19NO4/c1-15-11(14)5-4-10(13)12-7-6-9-3-2-8-16-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRRQUNNRWBXZXLW-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.62
Rot. Bonds6

About methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate

methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate (PubChem CID 110731234) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
PubChem CID110731234
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
SMILESCOC(=O)CCC(=O)NCCC1CCCO1
InChIInChI=1S/C11H19NO4/c1-15-11(14)5-4-10(13)12-7-6-9-3-2-8-16-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRRQUNNRWBXZXLW-UHFFFAOYSA-N
XLogP0.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
3-(tert-butylamino)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 54917416
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
5-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 82011608
(2R)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827192
(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827194
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119726630
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate?
The IUPAC name of methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate (CID 110731234) is methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate is COC(=O)CCC(=O)NCCC1CCCO1.
What is the InChIKey of methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate?
The InChIKey is RRQUNNRWBXZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-15-11(14)5-4-10(13)12-7-6-9-3-2-8-16-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate?
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate has a molecular weight of 229.28 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate is sourced from PubChem (CID 110731234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).