2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid

C11H18N2O4 — CID 79284020

IUPAC2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NC(C)COCC
InChIInChI=1S/C11H18N2O4/c1-4-6-13(7-10(14)15)11(16)12-9(3)8-17-5-2/h1,9H,5-8H2,2-3H3,(H,12,16)(H,14,15)
InChIKeyAOKXBPYJJDWALM-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.14
Rot. Bonds7

About 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid

2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid (PubChem CID 79284020) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
PubChem CID79284020
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NC(C)COCC
InChIInChI=1S/C11H18N2O4/c1-4-6-13(7-10(14)15)11(16)12-9(3)8-17-5-2/h1,9H,5-8H2,2-3H3,(H,12,16)(H,14,15)
InChIKeyAOKXBPYJJDWALM-UHFFFAOYSA-N
XLogP0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methylhexan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79284470
2-[3-ethylpentan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283560
2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79273450
2-[2-(dimethylamino)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284807
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
5-[[ethyl(prop-2-ynyl)carbamoyl]amino]hexanoic acid
CID 82848607
2-[3-methylpentan-3-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106330660
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
2-[prop-2-ynyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]acetic acid
CID 79350944
2-[(2-propan-2-ylsulfanylacetyl)-prop-2-ynylamino]acetic acid
CID 79273312
2-[1-(2,4-dichlorophenyl)ethylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79269970
2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid (CID 79284020) is 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)C(=O)NC(C)COCC.
What is the InChIKey of 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is AOKXBPYJJDWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-6-13(7-10(14)15)11(16)12-9(3)8-17-5-2/h1,9H,5-8H2,2-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid?
2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethoxypropan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 79284020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).