2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid

C10H19N3O5 — CID 79463151

IUPAC2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
SMILESCCNC(=O)C(C)NC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-11-9(16)7(2)13-10(17)12-4-5-18-6-8(14)15/h7H,3-6H2,1-2H3,(H,11,16)(H,14,15)(H2,12,13,17)
InChIKeyVAPSSFJIFAZBQE-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.09
Rot. Bonds8

About 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid

2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid (PubChem CID 79463151) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
PubChem CID79463151
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
SMILESCCNC(=O)C(C)NC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-11-9(16)7(2)13-10(17)12-4-5-18-6-8(14)15/h7H,3-6H2,1-2H3,(H,11,16)(H,14,15)(H2,12,13,17)
InChIKeyVAPSSFJIFAZBQE-UHFFFAOYSA-N
XLogP-1.09
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79457211
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79463522
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 61478804
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464414
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid (CID 79463151) is 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid is CCNC(=O)C(C)NC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid?
The InChIKey is VAPSSFJIFAZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-3-11-9(16)7(2)13-10(17)12-4-5-18-6-8(14)15/h7H,3-6H2,1-2H3,(H,11,16)(H,14,15)(H2,12,13,17).
What are the key properties of 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid?
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid has a molecular weight of 261.28 g/mol, XLogP of -1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).