2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid

C12H16N2O4 — CID 79276164

IUPAC2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NCc1ccco1
InChIInChI=1S/C12H16N2O4/c1-2-5-14(9-12(16)17)8-11(15)13-7-10-4-3-6-18-10/h2-4,6H,1,5,7-9H2,(H,13,15)(H,16,17)
InChIKeyZUCBVDHTTCJVBL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.47
Rot. Bonds8

About 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid

2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid (PubChem CID 79276164) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
PubChem CID79276164
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)CC(=O)NCc1ccco1
InChIInChI=1S/C12H16N2O4/c1-2-5-14(9-12(16)17)8-11(15)13-7-10-4-3-6-18-10/h2-4,6H,1,5,7-9H2,(H,13,15)(H,16,17)
InChIKeyZUCBVDHTTCJVBL-UHFFFAOYSA-N
XLogP0.47
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
3-[[2-(benzylamino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326878
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[1-(furan-2-yl)propan-2-yl-prop-2-enylamino]acetic acid
CID 79285506
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 113149785
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid (CID 79276164) is 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)CC(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
The InChIKey is ZUCBVDHTTCJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-5-14(9-12(16)17)8-11(15)13-7-10-4-3-6-18-10/h2-4,6H,1,5,7-9H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid?
2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).