2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid

C11H20N2O5 — CID 106110007

IUPAC2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCCC1CCCO1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-17-9(10(14)15)7-13-11(16)12-5-4-8-3-2-6-18-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyMCFXRIFJQIMXHU-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.05
Rot. Bonds7

About 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid

2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 106110007) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID106110007
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCCC1CCCO1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-17-9(10(14)15)7-13-11(16)12-5-4-8-3-2-6-18-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyMCFXRIFJQIMXHU-UHFFFAOYSA-N
XLogP-0.05
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463058
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 62474156
(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
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
(2S)-2-[2-(oxan-2-yl)ethylcarbamoylamino]butanoic acid
CID 114135764
(2S)-4-amino-4-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 63716998
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid (CID 106110007) is 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid is COC(CNC(=O)NCCC1CCCO1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is MCFXRIFJQIMXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-17-9(10(14)15)7-13-11(16)12-5-4-8-3-2-6-18-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106110007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).