2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid

C11H18N2O4 — CID 81056729

IUPAC2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N(C)CCOCC
InChIInChI=1S/C11H18N2O4/c1-4-6-13(9-10(14)15)11(16)12(3)7-8-17-5-2/h1H,5-9H2,2-3H3,(H,14,15)
InChIKeyMVBJFFKGILVHPB-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.09
Rot. Bonds7

About 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid

2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid (PubChem CID 81056729) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
PubChem CID81056729
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N(C)CCOCC
InChIInChI=1S/C11H18N2O4/c1-4-6-13(9-10(14)15)11(16)12(3)7-8-17-5-2/h1H,5-9H2,2-3H3,(H,14,15)
InChIKeyMVBJFFKGILVHPB-UHFFFAOYSA-N
XLogP0.09
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
2-[[methyl(pentan-3-yl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283739
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79278098
2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283178
3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
CID 78925629
2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 81058123
2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79284020

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid (CID 81056729) is 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)N(C)CCOCC.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid?
The InChIKey is MVBJFFKGILVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-6-13(9-10(14)15)11(16)12(3)7-8-17-5-2/h1H,5-9H2,2-3H3,(H,14,15).
What are the key properties of 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid?
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 81056729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).