2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

C10H16N2O3 — CID 79274369

IUPAC2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)N(C)CC
InChIInChI=1S/C10H16N2O3/c1-4-6-12(8-10(14)15)7-9(13)11(3)5-2/h1H,5-8H2,2-3H3,(H,14,15)
InChIKeyUPCOONBLRSRBLW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.52
Rot. Bonds6

About 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid (PubChem CID 79274369) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
PubChem CID79274369
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)N(C)CC
InChIInChI=1S/C10H16N2O3/c1-4-6-12(8-10(14)15)7-9(13)11(3)5-2/h1H,5-8H2,2-3H3,(H,14,15)
InChIKeyUPCOONBLRSRBLW-UHFFFAOYSA-N
XLogP-0.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79272997
2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
CID 143021592
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
CID 79274217
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79278098
2-[pent-4-enyl(prop-2-ynyl)amino]acetic acid
CID 79274046
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid (CID 79274369) is 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC(=O)N(C)CC.
What is the InChIKey of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The InChIKey is UPCOONBLRSRBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-6-12(8-10(14)15)7-9(13)11(3)5-2/h1H,5-8H2,2-3H3,(H,14,15).
What are the key properties of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79274369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).