2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid

C7H11NO4 — CID 18937466

IUPAC2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid
SMILESC=C(C)C(=O)NC(OC)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)5(9)8-6(12-3)7(10)11/h6H,1H2,2-3H3,(H,8,9)(H,10,11)
InChIKeyIJDPNBIGSQXILF-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.26
Rot. Bonds4

About 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid

2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid (PubChem CID 18937466) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid
PubChem CID18937466
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid
SMILESC=C(C)C(=O)NC(OC)C(=O)O
InChIInChI=1S/C7H11NO4/c1-4(2)5(9)8-6(12-3)7(10)11/h6H,1H2,2-3H3,(H,8,9)(H,10,11)
InChIKeyIJDPNBIGSQXILF-UHFFFAOYSA-N
XLogP-0.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl hydroxy((2-methyl-1-oxoallyl)amino)acetate
CID 16205916
2-Hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
2-Methoxy-2-(2-methylidenebutanoylamino)acetic acid
CID 18619912
Methyl 2-hydroxy-2-(2-methylidenebutanoylamino)acetate
CID 18619913
Methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954897
Methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954898
1-Butoxybutane;butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954899
Butyl hydroxy[(2-methylacryloyl)amino]acetate
CID 18954900
2-Ethoxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18997982
Acrylamidoglycolic acid Methyl Ether
CID 19933811
2-[(2-Methylprop-2-enoylamino)methoxy]acetic acid
CID 20248764
2-[2-[2-[2-(2-Methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
CID 20688767

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid?
The IUPAC name of 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid (CID 18937466) is 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid.
What is the SMILES notation for 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid?
The canonical SMILES for 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid is C=C(C)C(=O)NC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid?
The InChIKey is IJDPNBIGSQXILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(2)5(9)8-6(12-3)7(10)11/h6H,1H2,2-3H3,(H,8,9)(H,10,11).
What are the key properties of 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid?
2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid has a molecular weight of 173.17 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methylprop-2-enoylamino)acetic acid is sourced from PubChem (CID 18937466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).