2-[ethyl(prop-2-enoyl)amino]acetic acid

C7H11NO3 — CID 22364021

IUPAC2-[ethyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(CC)CC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(9)8(4-2)5-7(10)11/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyNQAYDNHKIKCYNL-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.11
Rot. Bonds4

About 2-[ethyl(prop-2-enoyl)amino]acetic acid

2-[ethyl(prop-2-enoyl)amino]acetic acid (PubChem CID 22364021) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[ethyl(prop-2-enoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(prop-2-enoyl)amino]acetic acid
PubChem CID22364021
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[ethyl(prop-2-enoyl)amino]acetic acid
SMILESC=CC(=O)N(CC)CC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-6(9)8(4-2)5-7(10)11/h3H,1,4-5H2,2H3,(H,10,11)
InChIKeyNQAYDNHKIKCYNL-UHFFFAOYSA-N
XLogP0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(prop-2-enoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(prop-2-enoyl)amino]acetic acid (CID 22364021) is 2-[ethyl(prop-2-enoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(prop-2-enoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(prop-2-enoyl)amino]acetic acid is C=CC(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl(prop-2-enoyl)amino]acetic acid?
The InChIKey is NQAYDNHKIKCYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(9)8(4-2)5-7(10)11/h3H,1,4-5H2,2H3,(H,10,11).
What are the key properties of 2-[ethyl(prop-2-enoyl)amino]acetic acid?
2-[ethyl(prop-2-enoyl)amino]acetic acid has a molecular weight of 157.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-enoyl)amino]acetic acid is sourced from PubChem (CID 22364021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).