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

C8H11NO3 — CID 79256407

IUPAC2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C=C
InChIInChI=1S/C8H11NO3/c1-3-5-9(6-8(11)12)7(10)4-2/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyOIEVULXXFSRLQN-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.27
Rot. Bonds5

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

2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid (PubChem CID 79256407) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
PubChem CID79256407
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C=C
InChIInChI=1S/C8H11NO3/c1-3-5-9(6-8(11)12)7(10)4-2/h3-4H,1-2,5-6H2,(H,11,12)
InChIKeyOIEVULXXFSRLQN-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 173377477
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
CID 88654004
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[(3-methoxy-3-oxopropyl)-prop-2-enoylamino]acetic acid
CID 89333212
2-[3-(1-methylpyrazol-4-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79262588

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid (CID 79256407) is 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)C=C.
What is the InChIKey of 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is OIEVULXXFSRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-5-9(6-8(11)12)7(10)4-2/h3-4H,1-2,5-6H2,(H,11,12).
What are the key properties of 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid?
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).