2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid

C11H19N3O5 — CID 61198700

IUPAC2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESCC(NC(=O)NCC(=O)NCC(=O)O)C1CCCO1
InChIInChI=1S/C11H19N3O5/c1-7(8-3-2-4-19-8)14-11(18)13-5-9(15)12-6-10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyBZRWYDJJTADLBE-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.95
Rot. Bonds6

About 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid

2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid (PubChem CID 61198700) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
PubChem CID61198700
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
SMILESCC(NC(=O)NCC(=O)NCC(=O)O)C1CCCO1
InChIInChI=1S/C11H19N3O5/c1-7(8-3-2-4-19-8)14-11(18)13-5-9(15)12-6-10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyBZRWYDJJTADLBE-UHFFFAOYSA-N
XLogP-0.95
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
4-[[1-(oxolan-2-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525677
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 111438268
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
CID 95313447
2-[[2-(oxolan-2-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61191456
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 60507165
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 100848596
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid (CID 61198700) is 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid is CC(NC(=O)NCC(=O)NCC(=O)O)C1CCCO1.
What is the InChIKey of 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
The InChIKey is BZRWYDJJTADLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-7(8-3-2-4-19-8)14-11(18)13-5-9(15)12-6-10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid?
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 61198700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).